<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:a="http://www.iochem-bd.org/dictionary/adf/"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="adf.log">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">AMS</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">2021.101</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string">r94406</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2021-05-14</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:date">2025-09-16T11:52:34.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.188456"
                        y3="6.066544"
                        z3="0.119147"/>
                  <atom elementType="W"
                        id="a2"
                        x3="3.208290"
                        y3="5.779410"
                        z3="1.759335"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.724824"
                        y3="3.769415"
                        z3="0.893844"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.158924"
                        y3="2.747623"
                        z3="-0.995684"/>
                  <atom elementType="W"
                        id="a5"
                        x3="0.129093"
                        y3="6.858273"
                        z3="3.790439"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.178637"
                        y3="4.449626"
                        z3="7.777577"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.837854"
                        y3="0.377567"
                        z3="4.763593"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="3.487027"
                        y3="2.510061"
                        z3="0.681577"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-12.808520"
                        y3="9.137934"
                        z3="12.012872"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.357898"
                        y3="4.574066"
                        z3="4.569455"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.776065"
                        y3="6.022630"
                        z3="11.116929"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.525602"
                        y3="3.467738"
                        z3="2.547736"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.917304"
                        y3="6.509391"
                        z3="3.084538"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.789535"
                        y3="6.188085"
                        z3="5.521800"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.829868"
                        y3="2.950120"
                        z3="-0.632632"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.137010"
                        y3="5.031710"
                        z3="3.335354"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.063524"
                        y3="5.487244"
                        z3="0.201437"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.602447"
                        y3="2.036498"
                        z3="1.789952"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.399498"
                        y3="3.802374"
                        z3="0.327057"/>
                  <atom elementType="O"
                        id="a20"
                        x3="1.707461"
                        y3="6.035802"
                        z3="0.511586"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.084988"
                        y3="4.709216"
                        z3="-1.253286"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.437549"
                        y3="6.778987"
                        z3="1.918922"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-2.962880"
                        y3="4.558043"
                        z3="2.620951"/>
                  <atom elementType="O"
                        id="a24"
                        x3="4.001806"
                        y3="4.486104"
                        z3="0.637058"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-0.044347"
                        y3="1.099985"
                        z3="0.053741"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.003964"
                        y3="4.379222"
                        z3="3.710379"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.194674"
                        y3="4.900366"
                        z3="5.380138"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.076206"
                        y3="3.620605"
                        z3="2.302775"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.653529"
                        y3="6.454983"
                        z3="4.365650"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.064974"
                        y3="2.175984"
                        z3="-2.660187"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.002436"
                        y3="2.760138"
                        z3="-0.697419"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.201094"
                        y3="7.194325"
                        z3="1.421710"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-1.169400"
                        y3="4.421380"
                        z3="6.175728"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.217733"
                        y3="3.857989"
                        z3="1.232396"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.333406"
                        y3="7.513459"
                        z3="-0.868342"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-7.936247"
                        y3="3.841012"
                        z3="10.883458"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.188011"
                        y3="8.597538"
                        z3="4.070739"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.164026"
                        y3="6.271800"
                        z3="10.063252"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.090932"
                        y3="4.218224"
                        z3="9.381285"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.233794"
                        y3="1.979076"
                        z3="2.913264"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.232573"
                        y3="3.240102"
                        z3="7.435545"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.167401"
                        y3="7.367201"
                        z3="12.194500"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-6.996912"
                        y3="6.035968"
                        z3="5.374656"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-9.135640"
                        y3="9.347776"
                        z3="6.295522"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.620069"
                        y3="2.357478"
                        z3="5.869508"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.729575"
                        y3="8.897911"
                        z3="7.875674"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.317740"
                        y3="-0.400739"
                        z3="3.315873"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.769045"
                        y3="1.613666"
                        z3="4.471157"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.712412"
                        y3="7.068916"
                        z3="7.010665"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.853729"
                        y3="6.064945"
                        z3="5.086304"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.806902"
                        y3="5.593571"
                        z3="2.571503"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.744694"
                        y3="10.016195"
                        z3="9.982641"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.491321"
                        y3="0.013869"
                        z3="3.690512"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.707919"
                        y3="10.298713"
                        z3="7.568334"/>
                  <atom elementType="Tc"
                        id="a55"
                        x3="-11.235816"
                        y3="7.736669"
                        z3="10.665958"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.495810"
                        y3="4.107101"
                        z3="5.238313"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.530599"
                        y3="5.543410"
                        z3="8.442617"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.470817"
                        y3="6.656623"
                        z3="8.645006"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-6.994133"
                        y3="9.651577"
                        z3="9.246249"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.102128"
                        y3="9.267768"
                        z3="11.685676"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.816216"
                        y3="6.275297"
                        z3="5.448618"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.811511"
                        y3="8.109326"
                        z3="9.430944"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-11.016587"
                        y3="8.793311"
                        z3="6.355012"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.618663"
                        y3="5.301445"
                        z3="7.842377"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.543489"
                        y3="3.971775"
                        z3="7.078337"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.368096"
                        y3="7.119290"
                        z3="6.412428"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-8.071637"
                        y3="1.681415"
                        z3="6.620855"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.883407"
                        y3="8.026236"
                        z3="4.881732"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.355169"
                        y3="10.004153"
                        z3="8.117744"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.913215"
                        y3="7.804333"
                        z3="8.756197"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-4.973524"
                        y3="7.626475"
                        z3="6.714206"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.086381"
                        y3="0.743006"
                        z3="4.878456"/>
                  <atom elementType="W"
                        id="a73"
                        x3="3.826686"
                        y3="3.216499"
                        z3="4.048473"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-2.065600"
                        y3="1.008266"
                        z3="3.359799"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.816530"
                        y3="0.014962"
                        z3="1.446854"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.749029"
                        y3="4.299892"
                        z3="6.075308"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-9.052342"
                        y3="4.379010"
                        z3="6.069966"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-9.015792"
                        y3="7.532285"
                        z3="9.840016"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.994176"
                        y3="8.232463"
                        z3="11.685246"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.928818"
                        y3="6.814142"
                        z3="8.429657"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.548557"
                        y3="9.622441"
                        z3="10.555657"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-1.074677"
                        y3="-0.165434"
                        z3="2.150795"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-4.872909"
                        y3="1.615150"
                        z3="6.047121"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.205497"
                        y3="7.099716"
                        z3="7.342085"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.482834"
                        y3="2.689718"
                        z3="12.130333"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.431646"
                        y3="5.646211"
                        z3="6.635063"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.658542"
                        y3="11.740953"
                        z3="10.323228"/>
                  <atom elementType="O"
                        id="a88"
                        x3="0.969128"
                        y3="-1.566158"
                        z3="0.684629"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.782297"
                        y3="5.160508"
                        z3="8.958137"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.464888"
                        y3="5.739156"
                        z3="10.484711"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.080102"
                        y3="7.516166"
                        z3="12.308892"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.483249"
                        y3="0.781629"
                        z3="1.069656"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.200334"
                        y3="3.039405"
                        z3="5.136609"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.551657"
                        y3="-0.357566"
                        z3="6.167757"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.908134"
                        y3="5.551455"
                        z3="3.397715"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.715565"
                        y3="7.460977"
                        z3="13.893351"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-9.253544"
                        y3="10.826745"
                        z3="5.355140"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.446665"
                        y3="7.154635"
                        z3="11.321216"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.120194"
                        y3="3.067198"
                        z3="8.128091"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.239976"
                        y3="9.253215"
                        z3="6.670097"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-9.867378"
                        y3="3.518400"
                        z3="10.761186"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.521629"
                        y3="3.230455"
                        z3="9.659731"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.494062"
                        y3="2.534764"
                        z3="4.422959"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.491469"
                        y3="2.440393"
                        z3="2.468129"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.243394"
                        y3="4.683131"
                        z3="10.469937"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.737304"
                        y3="2.747261"
                        z3="9.279448"/>
                  <atom elementType="O"
                        id="a107"
                        x3="5.057969"
                        y3="1.821378"
                        z3="-0.512530"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.347923"
                        y3="5.430796"
                        z3="11.930719"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.764478"
                        y3="0.949136"
                        z3="-0.847399"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a17 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a21 a1" order="S"/>
                  <bond atomRefs2="a22 a1" order="S"/>
                  <bond atomRefs2="a34 a1" order="S"/>
                  <bond atomRefs2="a35 a1" order="S"/>
                  <bond atomRefs2="a13 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a20 a2" order="S"/>
                  <bond atomRefs2="a24 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a15 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a23 a3" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a21 a4" order="S"/>
                  <bond atomRefs2="a25 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a31 a4" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a22 a5" order="S"/>
                  <bond atomRefs2="a26 a5" order="S"/>
                  <bond atomRefs2="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="a76 a6" order="S"/>
                  <bond atomRefs2="a72 a7" order="S"/>
                  <bond atomRefs2="a74 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a92 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a107 a8" order="S"/>
                  <bond atomRefs2="a79 a9" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a27 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a33 a10" order="S"/>
                  <bond atomRefs2="a103 a10" order="S"/>
                  <bond atomRefs2="a38 a11" order="S"/>
                  <bond atomRefs2="a26 a12" order="S"/>
                  <bond atomRefs2="a28 a12" order="S"/>
                  <bond atomRefs2="a34 a12" order="S"/>
                  <bond atomRefs2="a40 a12" order="S"/>
                  <bond atomRefs2="a76 a14" order="S"/>
                  <bond atomRefs2="a73 a16" order="S"/>
                  <bond atomRefs2="a74 a18" order="S"/>
                  <bond atomRefs2="a51 a19" order="S"/>
                  <bond atomRefs2="a51 a23" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a76 a26" order="S"/>
                  <bond atomRefs2="a51 a27" order="S"/>
                  <bond atomRefs2="a83 a27" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a85 a36" order="S"/>
                  <bond atomRefs2="a89 a36" order="S"/>
                  <bond atomRefs2="a101 a36" order="S"/>
                  <bond atomRefs2="a105 a36" order="S"/>
                  <bond atomRefs2="a106 a36" order="S"/>
                  <bond atomRefs2="a108 a36" order="S"/>
                  <bond atomRefs2="a57 a38" order="S"/>
                  <bond atomRefs2="a62 a38" order="S"/>
                  <bond atomRefs2="a98 a38" order="S"/>
                  <bond atomRefs2="a105 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a90 a39" order="S"/>
                  <bond atomRefs2="a99 a39" order="S"/>
                  <bond atomRefs2="a101 a39" order="S"/>
                  <bond atomRefs2="a102 a39" order="S"/>
                  <bond atomRefs2="a72 a40" order="S"/>
                  <bond atomRefs2="a65 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a77 a41" order="S"/>
                  <bond atomRefs2="a99 a41" order="S"/>
                  <bond atomRefs2="a106 a41" order="S"/>
                  <bond atomRefs2="a60 a42" order="S"/>
                  <bond atomRefs2="a78 a42" order="S"/>
                  <bond atomRefs2="a91 a42" order="S"/>
                  <bond atomRefs2="a96 a42" order="S"/>
                  <bond atomRefs2="a98 a42" order="S"/>
                  <bond atomRefs2="a108 a42" order="S"/>
                  <bond atomRefs2="a50 a43" order="S"/>
                  <bond atomRefs2="a51 a43" order="S"/>
                  <bond atomRefs2="a86 a43" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a68 a44" order="S"/>
                  <bond atomRefs2="a69 a44" order="S"/>
                  <bond atomRefs2="a84 a44" order="S"/>
                  <bond atomRefs2="a97 a44" order="S"/>
                  <bond atomRefs2="a100 a44" order="S"/>
                  <bond atomRefs2="a72 a45" order="S"/>
                  <bond atomRefs2="a76 a45" order="S"/>
                  <bond atomRefs2="a54 a46" order="S"/>
                  <bond atomRefs2="a59 a46" order="S"/>
                  <bond atomRefs2="a62 a46" order="S"/>
                  <bond atomRefs2="a71 a46" order="S"/>
                  <bond atomRefs2="a100 a46" order="S"/>
                  <bond atomRefs2="a72 a47" order="S"/>
                  <bond atomRefs2="a75 a47" order="S"/>
                  <bond atomRefs2="a72 a48" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a61 a49" order="S"/>
                  <bond atomRefs2="a63 a49" order="S"/>
                  <bond atomRefs2="a64 a49" order="S"/>
                  <bond atomRefs2="a66 a49" order="S"/>
                  <bond atomRefs2="a70 a49" order="S"/>
                  <bond atomRefs2="a61 a50" order="S"/>
                  <bond atomRefs2="a68 a50" order="S"/>
                  <bond atomRefs2="a77 a50" order="S"/>
                  <bond atomRefs2="a95 a50" order="S"/>
                  <bond atomRefs2="a95 a51" order="S"/>
                  <bond atomRefs2="a59 a52" order="S"/>
                  <bond atomRefs2="a60 a52" order="S"/>
                  <bond atomRefs2="a69 a52" order="S"/>
                  <bond atomRefs2="a78 a52" order="S"/>
                  <bond atomRefs2="a81 a52" order="S"/>
                  <bond atomRefs2="a87 a52" order="S"/>
                  <bond atomRefs2="a74 a53" order="S"/>
                  <bond atomRefs2="a83 a53" order="S"/>
                  <bond atomRefs2="a70 a55" order="S"/>
                  <bond atomRefs2="a79 a55" order="S"/>
                  <bond atomRefs2="a81 a55" order="S"/>
                  <bond atomRefs2="a90 a55" order="S"/>
                  <bond atomRefs2="a91 a55" order="S"/>
                  <bond atomRefs2="a73 a56" order="S"/>
                  <bond atomRefs2="a76 a56" order="S"/>
                  <bond atomRefs2="a86 a57" order="S"/>
                  <bond atomRefs2="a78 a58" order="S"/>
                  <bond atomRefs2="a80 a58" order="S"/>
                  <bond atomRefs2="a84 a58" order="S"/>
                  <bond atomRefs2="a89 a58" order="S"/>
                  <bond atomRefs2="a83 a65" order="S"/>
                  <bond atomRefs2="a86 a65" order="S"/>
                  <bond atomRefs2="a83 a67" order="S"/>
                  <bond atomRefs2="a86 a71" order="S"/>
                  <bond atomRefs2="a94 a72" order="S"/>
                  <bond atomRefs2="a93 a73" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a82 a74" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a82 a75" order="S"/>
                  <bond atomRefs2="a88 a75" order="S"/>
                  <bond atomRefs2="a92 a75" order="S"/>
                  <bond atomRefs2="a103 a83" order="S"/>
                  <bond atomRefs2="a109 a107" order="S"/>
               </bondArray>
               <formula concise="H2Cs2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5664.390912</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Cs.2O4P.2H2O.69O.4Tc.20W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;4*+1/p-2/rCs2H2O79P2Tc4W20/c3-82-27-102(17)55-90(9)35-85(6)36-91(10,44-90)50-97-24-2-26-99-48-89(8)32-84(5)31-88(7,43-89)47-98(52-99)25-1-23-96(49-90,51-97,65-102)75(1)86(76(2)97,37-94(13,59-102)46-95(14,38-86)60-103(18,28-82,56-91,66-97)70-105(20,40-85,64-95)73-104(19,39-85,63-94,69-102)79(82)105)81(1,2)87(77(1)98,78(2)99)41-106(21)61-92(11,33-84)45-93(12,34-84)58-101(16,54-89,68-99)30-83(4,29-100(15,53-88,57-92,67-98)71-106)80(106)107(22,42-87,62-93,72-101)74-106/h5-6H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:51;83;26,28,34,40,12;78,80,84,89,58;79;107;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;37;43;45;47;48;53;54;56;57;59;60;61;62;63;64;65;66;67;68;69;70;71;77;81;82;85;87;88;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;108;10;86;8;55;2;3;4;5;38;39;41;42;46;49;50;52;73;74;75;76;1;36;44;72/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OTcHTcO1P4OOOOOOOOOOO3OOO3O4O1OO1OO1OOO1WO1WWOWWO3WOWOOWWCs5WOO1TcOOP4OOOOOOO3O1OOOOOWWWWWOO3OO1OOCs5OO1TcO1O1OOOOO1O1OO1O1OOOOO1O3OOOOOH/rB:;;;;;;;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s5s12;s10;s12;s5s10;s4;s4s8;s2;s10;s1s12;s1;;s5;s11;;s12;;;;;;;;;;s43;s19s23s27s43;;;s46;;;s38;;s46s52;s42s52;s49s50;s38s46;s44s49;s39s49;s41;s49;s41;s44s50;s44s52;s49s55;s46;s7s40s45s47s48;s16s48s56;s7s18s53;s25s47;s6s14s26s33s45s56;s41s50;s42s52s58;s9s55;s58;s52s55;s74s75;s27s53s65s67;s44s58;s36;s27s43s57s65s71;s52;s75;s36s58;s39s55;s42s55;s8s75;s73;s72;s50s51;s42;s44;s38s42;s39s41;s44s46;s36s39;s39;s10s74s83;s8s73;s36s38;s36s41;s8;s36s42;s107;/rC:-.1885,6.0665,.1191;3.2083,5.7794,1.7593;-2.7248,3.7694,.8938;.1589,2.7476,-.9957;.1291,6.8583,3.7904;1.1786,4.4496,7.7776;-.8379,.3776,4.7636;3.487,2.5101,.6816;-12.8085,9.1379,12.0129;-2.3579,4.5741,4.5695;-3.7761,6.0226,11.1169;.5256,3.4677,2.5477;1.9173,6.5094,3.0845;.7895,6.1881,5.5218;-1.8299,2.9501,-.6326;4.137,5.0317,3.3354;-2.0635,5.4872,.2014;-2.6024,2.0365,1.79;-4.3995,3.8024,.3271;1.7075,6.0358,.5116;.085,4.7092,-1.2533;-.4375,6.779,1.9189;-2.9629,4.558,2.621;4.0018,4.4861,.6371;-.0443,1.1,.0537;-.004,4.3792,3.7104;-4.1947,4.9004,5.3801;2.0762,3.6206,2.3028;-1.6535,6.455,4.3656;.065,2.176,-2.6602;2.0024,2.7601,-.6974;4.2011,7.1943,1.4217;-1.1694,4.4214,6.1757;-.2177,3.858,1.2324;-.3334,7.5135,-.8683;-7.9362,3.841,10.8835;.188,8.5975,4.0707;-5.164,6.2718,10.0633;-11.0909,4.2182,9.3813;.2338,1.9791,2.9133;-8.2326,3.2401,7.4355;-8.1674,7.3672,12.1945;-6.9969,6.036,5.3747;-9.1356,9.3478,6.2955;.6201,2.3575,5.8695;-5.7296,8.8979,7.8757;1.3177,-.4007,3.3159;2.769,1.6137,4.4712;-11.7124,7.0689,7.0107;-8.8537,6.0649,5.0863;-5.8069,5.5936,2.5715;-8.7447,10.0162,9.9826;-3.4913,.0139,3.6905;-4.7079,10.2987,7.5683;-11.2358,7.7367,10.666;2.4958,4.1071,5.2383;-4.5306,5.5434,8.4426;-8.4708,6.6566,8.645;-6.9941,9.6516,9.2462;-8.1021,9.2678,11.6857;-10.8162,6.2753,5.4486;-4.8115,8.1093,9.4309;-11.0166,8.7933,6.355;-11.6187,5.3014,7.8424;-6.5435,3.9718,7.0783;-13.3681,7.1193,6.4124;-8.0716,1.6814,6.6209;-8.8834,8.0262,4.8817;-9.3552,10.0042,8.1177;-11.9132,7.8043,8.7562;-4.9735,7.6265,6.7142;1.0864,.743,4.8785;3.8267,3.2165,4.0485;-2.0656,1.0083,3.3598;.8165,.015,1.4469;.749,4.2999,6.0753;-9.0523,4.379,6.07;-9.0158,7.5323,9.84;-12.9942,8.2325,11.6852;-6.9288,6.8141,8.4297;-10.5486,9.6224,10.5557;-1.0747,-.1654,2.1508;-4.8729,1.6152,6.0471;-9.2055,7.0997,7.3421;-7.4828,2.6897,12.1303;-5.4316,5.6462,6.6351;-8.6585,11.741,10.3232;.9691,-1.5662,.6846;-8.7823,5.1605,8.9581;-11.4649,5.7392,10.4847;-10.0801,7.5162,12.3089;2.4832,.7816,1.0697;5.2003,3.0394,5.1366;1.5517,-.3576,6.1678;-8.9081,5.5515,3.3977;-7.7156,7.461,13.8934;-9.2535,10.8267,5.3551;-6.4467,7.1546,11.3212;-10.1202,3.0672,8.1281;-7.24,9.2532,6.6701;-9.8674,3.5184,10.7612;-12.5216,3.2305,9.6597;-2.4941,2.5348,4.423;4.4915,2.4404,2.4681;-6.2434,4.6831,10.4699;-7.7373,2.7473,9.2794;5.058,1.8214,-.5125;-8.3479,5.4308,11.9307;4.7645,.9491,-.8474;/R:/0/N:51,83,80,28,107,79,30,88,66,102,32,93,54,11,35,94,97,85,87,96,37,6,95,67,19,53,84,89,34,40,31,92,24,104,70,90,71,57,81,91,29,33,25,64,16,62,15,82,61,99,77,18,21,47,63,101,20,48,100,105,13,56,59,98,68,106,17,7,69,108,22,45,60,14,43,65,23,103,78,26,27,58,12,8,55,86,10,4,75,49,39,2,73,46,38,50,41,3,74,1,72,44,36,52,42,5,76/E:(1,2)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(47,48)(49,50)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(75,76)(77,78)(88,89)(90,91)(92,93)(94,95)(96,97)(98,99)(100,101)(102,103)(104,105)(106,107)/CRV:1.5,2.5,3.1,4.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,75.3,76.3,77.3,78.3,79.3,80.3,81.4,82.4,83.4,84.5,85.5,86.5,87.5</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters2">
                  <list cmlx:templateRef="scf"/>
                  <list cmlx:templateRef="spin">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Unrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoArea">3514.93497850</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">11367.81299283</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="18978" startLine="18976">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="18982" startLine="18980">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="18991" startLine="18984">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task GeometryOptimization</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Constraints</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atom 79</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atom 107</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.09789291789853571 5.994743698554627 0.2898086689354535 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.256987231173822 5.813123911538316 1.872958374892986 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.606345871797862 3.788237529957286 1.009959459098615 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.19360072924799 2.801564062146099 -0.8744407893096726 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.2097693246805452 6.86225017241556 3.890389714639263 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.356417816910881 4.439001570984709 7.729372405665549 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.7022074941636802 0.4461367169571906 4.779781484178285 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc 3.492232952422079 2.582497799802575 0.7753068350591024 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H -13.26637415719441 9.126426684721709 11.46559007893085 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -2.209158431414892 4.579479829510319 4.596527934113562 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.876281094829215 6.303863205616907 11.32574529109624 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P 0.609630986799587 3.56810207497344 2.680328468867046 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.987217078218922 6.439230177183425 3.087085799944332 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.7993584610622655 6.239919093925652 5.622712502210126 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.764305435814862 2.960037987755898 -0.5551892145857655 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.2970576891557 5.028654289215268 3.293985635488193 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.947612431274013 5.475406675926679 0.2932829895787119 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.419879461975256 2.096494835218821 1.871648199223447 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.224940436219926 3.834738254629552 0.4596243965146671 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.763682705041861 5.954950249572059 0.6796710392626419 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1433597577525543 4.727860355280026 -1.127941894430874 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.3235744843722239 6.638113696593137 2.03049909216036 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.739200238606106 4.61514209722205 2.626746017435443 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.024243399067766 4.572049150622331 0.6869367390755476 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1300107665228056 1.201225983108847 0.1602479542393045 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1330038451348781 4.456695679394092 3.808729809451255 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.96808218452278 5.026893963091899 5.586328508594252 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.109703458830007 3.754685528142134 2.473080186504507 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.552667768910339 6.564952147811853 4.440945472069542 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.1697196172357316 2.274269642152447 -2.484263330552537 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.014646387721896 2.912471069180891 -0.4863836390522431 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.118810356620754 7.261515838801378 1.513011536704303 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.029517320170387 4.452334189211182 6.325564386594471 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1241300832346877 3.898444460522427 1.347379205871273 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1943872265723972 7.432766565577889 -0.6279478562539644 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.86134176656032 4.101657818956927 10.93702136084124 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.3381788089491131 8.550916259290892 4.061225893445389 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.15308328983158 6.531264994860726 10.19075428587903 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -10.96390106421089 4.294308019527473 9.516938771926412 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.329534162667894 2.066429912169719 2.981678135999318 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.163686982096788 3.306554393399034 7.633502108432799 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.199232362327898 7.576075025288207 12.21203603762815 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.011378519671046 6.117996616179937 5.612472596231454 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -9.12391782529148 9.200269245553672 6.388664904219146 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.711367916766287 2.458746350108486 5.758818602021008 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.769037676219124 9.01864945853734 7.971814610176671 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.389433034108166 -0.3041085318761931 3.360964253236749 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.799961057820196 1.770187981926771 4.412803236822127 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -11.6323707791908 6.993763076956323 7.108815694382308 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.832424178144947 6.007089609145133 5.224415445974014 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Cs -5.697641632003615 5.67969281363025 2.764988852826694 adf.R=2.867</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.816255582712385 10.06777571941458 9.989245949922923 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.306253811498744 0.1248420548138567 3.769139266741333 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.907214550772183 10.46704138580041 7.61186777198799 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -11.23518333880781 7.785005376509357 10.69538416939726 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.565154627504583 4.105367617165887 5.169072041992547 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.485312634911152 5.691938682855929 8.646341904296797 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P -8.416393920593363 6.773627621972476 8.779184704150738 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.03880782917403 9.644755724182446 9.185942035228006 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.22666644633067 9.445444640924681 11.7215687374938 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.79033034320779 6.165563534754934 5.543667020697923 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.728967218237246 8.234179836214306 9.392841870771887 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.97363733866697 8.680932222925721 6.392139224862412 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.44590436936818 5.302020382217862 7.970504434507136 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.525643802480144 4.156473140237341 7.362303524722996 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.25096534361288 7.040263801628592 6.558480631798361 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.943631901516675 1.794182004984293 6.902445443438507 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.882665149640381 7.93338590227907 4.970914340852817 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.349599391765169 9.843639243592175 8.129355327444054 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.76522514599906 7.82066764422109 8.725602252719138 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -5.00178150832518 7.777574697621366 6.785792974359238 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.164683140832626 0.8961322719578857 4.838165125557563 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.87294161756137 3.325739447861696 4.091898050595354 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.937876156817953 1.088782472528437 3.418082536642717 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.8623379252961545 0.1010288463999913 1.53464587314911 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.8267925450650271 4.370549478289163 6.113179802344447 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.896014140870141 4.40675153010788 6.259104189522996 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.893021062258056 7.662221226393131 9.907586044734972 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.99410709191573 8.232419510090926 11.68518474387793 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.91632144856295 6.960211075141175 8.571936421788203 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.57869267630327 9.770477694810893 10.53980170735324 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.9999582948799697 -0.1265951221524544 2.198326686124115 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Cs -4.738131799516044 1.804941853462749 6.221566942999801 adf.R=2.867</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.15015499062763 7.103970007521466 7.446235441154969 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.349632098169486 3.083594396588594 12.21028411476403 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -5.533791954970864 5.788023346801616 6.874163070342799 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.687846098443826 11.75644180628993 10.16008212872908 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.082393005876265 -1.411343542014745 0.8035892081548139 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.696490744725049 5.271955459168757 9.080534371283012 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.25209687853532 5.748521867570061 10.57411684497232 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.05554222756333 7.657859736210224 12.42442062187819 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.500381104912803 0.9509475932382982 1.2634472894393 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.149743812563711 3.098337658617861 5.226889055812515 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.676392809223467 -0.1219311504104379 6.111427879480341 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.856305290157213 5.479795189151482 3.614592904731159 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.669607090482057 7.644527117983756 13.82822864094924 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.220412133965345 10.63829211257696 5.47090837902972 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.460870279888373 7.310893164164922 11.26792827727624 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.02598320227288 3.078930424846576 8.297182921407796 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.262342202351084 9.160475796571092 6.778527274546334 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.728232401556621 3.65166226395623 10.87863771946198 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.33227871889168 3.330367601812894 9.86799550202503 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.226071971142355 2.542996320571023 4.475260609688632 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.540712272481802 2.486413135856893 2.547485669013103 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.226063849572741 4.975713528925811 10.51165947210582 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.636591873284777 2.901417015122849 9.459820488520441 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.057942722870164 1.821368416092862 -0.5125277266894406 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.314656990626647 5.664271897107522 11.85767483730469 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H 5.289313243470996 0.9297079716304901 -0.2423253322180633 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -10</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 34 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 35 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 32 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 30 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 107 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 26 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 28 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 34 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 40 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 85 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 89 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 106 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 108 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 98 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 105 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 101 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 102 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 99 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 106 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 96 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 98 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         42 108 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 84 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 97 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         44 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 71 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         46 100 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         49 70 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         50 95 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 95 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 59 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 87 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 70 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 90 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         55 91 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 78 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 80 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 84 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         58 89 2.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 40 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         72 94 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 93 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         73 104 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 82 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         74 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 82 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 88 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         75 92 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 6 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         76 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         83 103 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         86 71 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         109 107 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Engine ADF</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Basis</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Type TZP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    SpinPolarization 4</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        GGA PBE</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Unrestricted Yes</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Solvation</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Surf Delley</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Solv name=Water cav0=0.0 cav1=0.0067639</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Charged method=CONJ</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        C-Mat POT</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        SCF VAR ALL </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        CSMRSP</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    NumericalQuality Good</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
                     <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:charge">-10</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:spinPolarization">4</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.188456"
                        y3="6.066544"
                        z3="0.119147"/>
                  <atom elementType="W"
                        id="a2"
                        x3="3.208290"
                        y3="5.779410"
                        z3="1.759335"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.724824"
                        y3="3.769415"
                        z3="0.893844"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.158924"
                        y3="2.747623"
                        z3="-0.995684"/>
                  <atom elementType="W"
                        id="a5"
                        x3="0.129093"
                        y3="6.858273"
                        z3="3.790439"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.178637"
                        y3="4.449626"
                        z3="7.777577"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.837854"
                        y3="0.377567"
                        z3="4.763593"/>
                  <atom elementType="Tc"
                        id="a8"
                        x3="3.487027"
                        y3="2.510061"
                        z3="0.681577"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-12.808520"
                        y3="9.137934"
                        z3="12.012872"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.357898"
                        y3="4.574066"
                        z3="4.569455"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.776065"
                        y3="6.022630"
                        z3="11.116929"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.525602"
                        y3="3.467738"
                        z3="2.547736"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.917304"
                        y3="6.509391"
                        z3="3.084538"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.789535"
                        y3="6.188085"
                        z3="5.521800"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.829868"
                        y3="2.950120"
                        z3="-0.632632"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.137010"
                        y3="5.031710"
                        z3="3.335354"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.063524"
                        y3="5.487244"
                        z3="0.201437"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.602447"
                        y3="2.036498"
                        z3="1.789952"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.399498"
                        y3="3.802374"
                        z3="0.327057"/>
                  <atom elementType="O"
                        id="a20"
                        x3="1.707461"
                        y3="6.035802"
                        z3="0.511586"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.084988"
                        y3="4.709216"
                        z3="-1.253286"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.437549"
                        y3="6.778987"
                        z3="1.918922"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-2.962880"
                        y3="4.558043"
                        z3="2.620951"/>
                  <atom elementType="O"
                        id="a24"
                        x3="4.001806"
                        y3="4.486104"
                        z3="0.637058"/>
                  <atom elementType="O"
                        id="a25"
                        x3="-0.044347"
                        y3="1.099985"
                        z3="0.053741"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.003964"
                        y3="4.379222"
                        z3="3.710379"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.194674"
                        y3="4.900366"
                        z3="5.380138"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.076206"
                        y3="3.620605"
                        z3="2.302775"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.653529"
                        y3="6.454983"
                        z3="4.365650"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.064974"
                        y3="2.175984"
                        z3="-2.660187"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.002436"
                        y3="2.760138"
                        z3="-0.697419"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.201094"
                        y3="7.194325"
                        z3="1.421710"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-1.169400"
                        y3="4.421380"
                        z3="6.175728"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.217733"
                        y3="3.857989"
                        z3="1.232396"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.333406"
                        y3="7.513459"
                        z3="-0.868342"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-7.936247"
                        y3="3.841012"
                        z3="10.883458"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.188011"
                        y3="8.597538"
                        z3="4.070739"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.164026"
                        y3="6.271800"
                        z3="10.063252"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.090932"
                        y3="4.218224"
                        z3="9.381285"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.233794"
                        y3="1.979076"
                        z3="2.913264"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.232573"
                        y3="3.240102"
                        z3="7.435545"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.167401"
                        y3="7.367201"
                        z3="12.194500"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-6.996912"
                        y3="6.035968"
                        z3="5.374656"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-9.135640"
                        y3="9.347776"
                        z3="6.295522"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.620069"
                        y3="2.357478"
                        z3="5.869508"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.729575"
                        y3="8.897911"
                        z3="7.875674"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.317740"
                        y3="-0.400739"
                        z3="3.315873"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.769045"
                        y3="1.613666"
                        z3="4.471157"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.712412"
                        y3="7.068916"
                        z3="7.010665"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.853729"
                        y3="6.064945"
                        z3="5.086304"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.806902"
                        y3="5.593571"
                        z3="2.571503"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.744694"
                        y3="10.016195"
                        z3="9.982641"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.491321"
                        y3="0.013869"
                        z3="3.690512"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.707919"
                        y3="10.298713"
                        z3="7.568334"/>
                  <atom elementType="Tc"
                        id="a55"
                        x3="-11.235816"
                        y3="7.736669"
                        z3="10.665958"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.495810"
                        y3="4.107101"
                        z3="5.238313"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.530599"
                        y3="5.543410"
                        z3="8.442617"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.470817"
                        y3="6.656623"
                        z3="8.645006"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-6.994133"
                        y3="9.651577"
                        z3="9.246249"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.102128"
                        y3="9.267768"
                        z3="11.685676"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.816216"
                        y3="6.275297"
                        z3="5.448618"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.811511"
                        y3="8.109326"
                        z3="9.430944"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-11.016587"
                        y3="8.793311"
                        z3="6.355012"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.618663"
                        y3="5.301445"
                        z3="7.842377"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.543489"
                        y3="3.971775"
                        z3="7.078337"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.368096"
                        y3="7.119290"
                        z3="6.412428"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-8.071637"
                        y3="1.681415"
                        z3="6.620855"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.883407"
                        y3="8.026236"
                        z3="4.881732"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.355169"
                        y3="10.004153"
                        z3="8.117744"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.913215"
                        y3="7.804333"
                        z3="8.756197"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-4.973524"
                        y3="7.626475"
                        z3="6.714206"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.086381"
                        y3="0.743006"
                        z3="4.878456"/>
                  <atom elementType="W"
                        id="a73"
                        x3="3.826686"
                        y3="3.216499"
                        z3="4.048473"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-2.065600"
                        y3="1.008266"
                        z3="3.359799"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.816530"
                        y3="0.014962"
                        z3="1.446854"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.749029"
                        y3="4.299892"
                        z3="6.075308"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-9.052342"
                        y3="4.379010"
                        z3="6.069966"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-9.015792"
                        y3="7.532285"
                        z3="9.840016"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.994176"
                        y3="8.232463"
                        z3="11.685246"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.928818"
                        y3="6.814142"
                        z3="8.429657"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.548557"
                        y3="9.622441"
                        z3="10.555657"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-1.074677"
                        y3="-0.165434"
                        z3="2.150795"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-4.872909"
                        y3="1.615150"
                        z3="6.047121"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.205497"
                        y3="7.099716"
                        z3="7.342085"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.482834"
                        y3="2.689718"
                        z3="12.130333"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.431646"
                        y3="5.646211"
                        z3="6.635063"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.658542"
                        y3="11.740953"
                        z3="10.323228"/>
                  <atom elementType="O"
                        id="a88"
                        x3="0.969128"
                        y3="-1.566158"
                        z3="0.684629"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.782297"
                        y3="5.160508"
                        z3="8.958137"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.464888"
                        y3="5.739156"
                        z3="10.484711"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.080102"
                        y3="7.516166"
                        z3="12.308892"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.483249"
                        y3="0.781629"
                        z3="1.069656"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.200334"
                        y3="3.039405"
                        z3="5.136609"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.551657"
                        y3="-0.357566"
                        z3="6.167757"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.908134"
                        y3="5.551455"
                        z3="3.397715"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.715565"
                        y3="7.460977"
                        z3="13.893351"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-9.253544"
                        y3="10.826745"
                        z3="5.355140"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.446665"
                        y3="7.154635"
                        z3="11.321216"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.120194"
                        y3="3.067198"
                        z3="8.128091"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.239976"
                        y3="9.253215"
                        z3="6.670097"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-9.867378"
                        y3="3.518400"
                        z3="10.761186"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.521629"
                        y3="3.230455"
                        z3="9.659731"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.494062"
                        y3="2.534764"
                        z3="4.422959"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.491469"
                        y3="2.440393"
                        z3="2.468129"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.243394"
                        y3="4.683131"
                        z3="10.469937"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.737304"
                        y3="2.747261"
                        z3="9.279448"/>
                  <atom elementType="O"
                        id="a107"
                        x3="5.057969"
                        y3="1.821378"
                        z3="-0.512530"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.347923"
                        y3="5.430796"
                        z3="11.930719"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.764478"
                        y3="0.949136"
                        z3="-0.847399"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a17 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a21 a1" order="S"/>
                  <bond atomRefs2="a22 a1" order="S"/>
                  <bond atomRefs2="a34 a1" order="S"/>
                  <bond atomRefs2="a35 a1" order="S"/>
                  <bond atomRefs2="a13 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a20 a2" order="S"/>
                  <bond atomRefs2="a24 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a15 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a23 a3" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a21 a4" order="S"/>
                  <bond atomRefs2="a25 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a31 a4" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a22 a5" order="S"/>
                  <bond atomRefs2="a26 a5" order="S"/>
                  <bond atomRefs2="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="a76 a6" order="S"/>
                  <bond atomRefs2="a72 a7" order="S"/>
                  <bond atomRefs2="a74 a7" order="S"/>
                  <bond atomRefs2="a24 a8" order="S"/>
                  <bond atomRefs2="a31 a8" order="S"/>
                  <bond atomRefs2="a92 a8" order="S"/>
                  <bond atomRefs2="a104 a8" order="S"/>
                  <bond atomRefs2="a107 a8" order="S"/>
                  <bond atomRefs2="a79 a9" order="S"/>
                  <bond atomRefs2="a23 a10" order="S"/>
                  <bond atomRefs2="a27 a10" order="S"/>
                  <bond atomRefs2="a29 a10" order="S"/>
                  <bond atomRefs2="a33 a10" order="S"/>
                  <bond atomRefs2="a103 a10" order="S"/>
                  <bond atomRefs2="a38 a11" order="S"/>
                  <bond atomRefs2="a26 a12" order="S"/>
                  <bond atomRefs2="a28 a12" order="S"/>
                  <bond atomRefs2="a34 a12" order="S"/>
                  <bond atomRefs2="a40 a12" order="S"/>
                  <bond atomRefs2="a76 a14" order="S"/>
                  <bond atomRefs2="a73 a16" order="S"/>
                  <bond atomRefs2="a74 a18" order="S"/>
                  <bond atomRefs2="a51 a19" order="S"/>
                  <bond atomRefs2="a51 a23" order="S"/>
                  <bond atomRefs2="a75 a25" order="S"/>
                  <bond atomRefs2="a76 a26" order="S"/>
                  <bond atomRefs2="a51 a27" order="S"/>
                  <bond atomRefs2="a83 a27" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a85 a36" order="S"/>
                  <bond atomRefs2="a89 a36" order="S"/>
                  <bond atomRefs2="a101 a36" order="S"/>
                  <bond atomRefs2="a105 a36" order="S"/>
                  <bond atomRefs2="a106 a36" order="S"/>
                  <bond atomRefs2="a108 a36" order="S"/>
                  <bond atomRefs2="a57 a38" order="S"/>
                  <bond atomRefs2="a62 a38" order="S"/>
                  <bond atomRefs2="a98 a38" order="S"/>
                  <bond atomRefs2="a105 a38" order="S"/>
                  <bond atomRefs2="a64 a39" order="S"/>
                  <bond atomRefs2="a90 a39" order="S"/>
                  <bond atomRefs2="a99 a39" order="S"/>
                  <bond atomRefs2="a101 a39" order="S"/>
                  <bond atomRefs2="a102 a39" order="S"/>
                  <bond atomRefs2="a72 a40" order="S"/>
                  <bond atomRefs2="a65 a41" order="S"/>
                  <bond atomRefs2="a67 a41" order="S"/>
                  <bond atomRefs2="a77 a41" order="S"/>
                  <bond atomRefs2="a99 a41" order="S"/>
                  <bond atomRefs2="a106 a41" order="S"/>
                  <bond atomRefs2="a60 a42" order="S"/>
                  <bond atomRefs2="a78 a42" order="S"/>
                  <bond atomRefs2="a91 a42" order="S"/>
                  <bond atomRefs2="a96 a42" order="S"/>
                  <bond atomRefs2="a98 a42" order="S"/>
                  <bond atomRefs2="a108 a42" order="S"/>
                  <bond atomRefs2="a50 a43" order="S"/>
                  <bond atomRefs2="a51 a43" order="S"/>
                  <bond atomRefs2="a86 a43" order="S"/>
                  <bond atomRefs2="a63 a44" order="S"/>
                  <bond atomRefs2="a68 a44" order="S"/>
                  <bond atomRefs2="a69 a44" order="S"/>
                  <bond atomRefs2="a84 a44" order="S"/>
                  <bond atomRefs2="a97 a44" order="S"/>
                  <bond atomRefs2="a100 a44" order="S"/>
                  <bond atomRefs2="a72 a45" order="S"/>
                  <bond atomRefs2="a76 a45" order="S"/>
                  <bond atomRefs2="a54 a46" order="S"/>
                  <bond atomRefs2="a59 a46" order="S"/>
                  <bond atomRefs2="a62 a46" order="S"/>
                  <bond atomRefs2="a71 a46" order="S"/>
                  <bond atomRefs2="a100 a46" order="S"/>
                  <bond atomRefs2="a72 a47" order="S"/>
                  <bond atomRefs2="a75 a47" order="S"/>
                  <bond atomRefs2="a72 a48" order="S"/>
                  <bond atomRefs2="a73 a48" order="S"/>
                  <bond atomRefs2="a61 a49" order="S"/>
                  <bond atomRefs2="a63 a49" order="S"/>
                  <bond atomRefs2="a64 a49" order="S"/>
                  <bond atomRefs2="a66 a49" order="S"/>
                  <bond atomRefs2="a70 a49" order="S"/>
                  <bond atomRefs2="a61 a50" order="S"/>
                  <bond atomRefs2="a68 a50" order="S"/>
                  <bond atomRefs2="a77 a50" order="S"/>
                  <bond atomRefs2="a95 a50" order="S"/>
                  <bond atomRefs2="a95 a51" order="S"/>
                  <bond atomRefs2="a59 a52" order="S"/>
                  <bond atomRefs2="a60 a52" order="S"/>
                  <bond atomRefs2="a69 a52" order="S"/>
                  <bond atomRefs2="a78 a52" order="S"/>
                  <bond atomRefs2="a81 a52" order="S"/>
                  <bond atomRefs2="a87 a52" order="S"/>
                  <bond atomRefs2="a74 a53" order="S"/>
                  <bond atomRefs2="a83 a53" order="S"/>
                  <bond atomRefs2="a70 a55" order="S"/>
                  <bond atomRefs2="a79 a55" order="S"/>
                  <bond atomRefs2="a81 a55" order="S"/>
                  <bond atomRefs2="a90 a55" order="S"/>
                  <bond atomRefs2="a91 a55" order="S"/>
                  <bond atomRefs2="a73 a56" order="S"/>
                  <bond atomRefs2="a76 a56" order="S"/>
                  <bond atomRefs2="a86 a57" order="S"/>
                  <bond atomRefs2="a78 a58" order="S"/>
                  <bond atomRefs2="a80 a58" order="S"/>
                  <bond atomRefs2="a84 a58" order="S"/>
                  <bond atomRefs2="a89 a58" order="S"/>
                  <bond atomRefs2="a83 a65" order="S"/>
                  <bond atomRefs2="a86 a65" order="S"/>
                  <bond atomRefs2="a83 a67" order="S"/>
                  <bond atomRefs2="a86 a71" order="S"/>
                  <bond atomRefs2="a94 a72" order="S"/>
                  <bond atomRefs2="a93 a73" order="S"/>
                  <bond atomRefs2="a104 a73" order="S"/>
                  <bond atomRefs2="a82 a74" order="S"/>
                  <bond atomRefs2="a103 a74" order="S"/>
                  <bond atomRefs2="a82 a75" order="S"/>
                  <bond atomRefs2="a88 a75" order="S"/>
                  <bond atomRefs2="a92 a75" order="S"/>
                  <bond atomRefs2="a103 a83" order="S"/>
                  <bond atomRefs2="a109 a107" order="S"/>
               </bondArray>
               <formula concise="H2Cs2O79P2Tc4W20"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5664.390912</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Cs.2O4P.2H2O.69O.4Tc.20W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;4*+1/p-2/rCs2H2O79P2Tc4W20/c3-82-27-102(17)55-90(9)35-85(6)36-91(10,44-90)50-97-24-2-26-99-48-89(8)32-84(5)31-88(7,43-89)47-98(52-99)25-1-23-96(49-90,51-97,65-102)75(1)86(76(2)97,37-94(13,59-102)46-95(14,38-86)60-103(18,28-82,56-91,66-97)70-105(20,40-85,64-95)73-104(19,39-85,63-94,69-102)79(82)105)81(1,2)87(77(1)98,78(2)99)41-106(21)61-92(11,33-84)45-93(12,34-84)58-101(16,54-89,68-99)30-83(4,29-100(15,53-88,57-92,67-98)71-106)80(106)107(22,42-87,62-93,72-101)74-106/h5-6H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/1/N:51;83;26,28,34,40,12;78,80,84,89,58;79;107;6;7;11;13;14;15;16;17;18;19;20;21;22;23;24;25;27;29;30;31;32;33;35;37;43;45;47;48;53;54;56;57;59;60;61;62;63;64;65;66;67;68;69;70;71;77;81;82;85;87;88;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;108;10;86;8;55;2;3;4;5;38;39;41;42;46;49;50;52;73;74;75;76;1;36;44;72/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OTcHTcO1P4OOOOOOOOOOO3OOO3O4O1OO1OO1OOO1WO1WWOWWO3WOWOOWWCs5WOO1TcOOP4OOOOOOO3O1OOOOOWWWWWOO3OO1OOCs5OO1TcO1O1OOOOO1O1OO1O1OOOOO1O3OOOOOH/rB:;;;;;;;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s5s12;s10;s12;s5s10;s4;s4s8;s2;s10;s1s12;s1;;s5;s11;;s12;;;;;;;;;;s43;s19s23s27s43;;;s46;;;s38;;s46s52;s42s52;s49s50;s38s46;s44s49;s39s49;s41;s49;s41;s44s50;s44s52;s49s55;s46;s7s40s45s47s48;s16s48s56;s7s18s53;s25s47;s6s14s26s33s45s56;s41s50;s42s52s58;s9s55;s58;s52s55;s74s75;s27s53s65s67;s44s58;s36;s27s43s57s65s71;s52;s75;s36s58;s39s55;s42s55;s8s75;s73;s72;s50s51;s42;s44;s38s42;s39s41;s44s46;s36s39;s39;s10s74s83;s8s73;s36s38;s36s41;s8;s36s42;s107;/rC:-.1885,6.0665,.1191;3.2083,5.7794,1.7593;-2.7248,3.7694,.8938;.1589,2.7476,-.9957;.1291,6.8583,3.7904;1.1786,4.4496,7.7776;-.8379,.3776,4.7636;3.487,2.5101,.6816;-12.8085,9.1379,12.0129;-2.3579,4.5741,4.5695;-3.7761,6.0226,11.1169;.5256,3.4677,2.5477;1.9173,6.5094,3.0845;.7895,6.1881,5.5218;-1.8299,2.9501,-.6326;4.137,5.0317,3.3354;-2.0635,5.4872,.2014;-2.6024,2.0365,1.79;-4.3995,3.8024,.3271;1.7075,6.0358,.5116;.085,4.7092,-1.2533;-.4375,6.779,1.9189;-2.9629,4.558,2.621;4.0018,4.4861,.6371;-.0443,1.1,.0537;-.004,4.3792,3.7104;-4.1947,4.9004,5.3801;2.0762,3.6206,2.3028;-1.6535,6.455,4.3656;.065,2.176,-2.6602;2.0024,2.7601,-.6974;4.2011,7.1943,1.4217;-1.1694,4.4214,6.1757;-.2177,3.858,1.2324;-.3334,7.5135,-.8683;-7.9362,3.841,10.8835;.188,8.5975,4.0707;-5.164,6.2718,10.0633;-11.0909,4.2182,9.3813;.2338,1.9791,2.9133;-8.2326,3.2401,7.4355;-8.1674,7.3672,12.1945;-6.9969,6.036,5.3747;-9.1356,9.3478,6.2955;.6201,2.3575,5.8695;-5.7296,8.8979,7.8757;1.3177,-.4007,3.3159;2.769,1.6137,4.4712;-11.7124,7.0689,7.0107;-8.8537,6.0649,5.0863;-5.8069,5.5936,2.5715;-8.7447,10.0162,9.9826;-3.4913,.0139,3.6905;-4.7079,10.2987,7.5683;-11.2358,7.7367,10.666;2.4958,4.1071,5.2383;-4.5306,5.5434,8.4426;-8.4708,6.6566,8.645;-6.9941,9.6516,9.2462;-8.1021,9.2678,11.6857;-10.8162,6.2753,5.4486;-4.8115,8.1093,9.4309;-11.0166,8.7933,6.355;-11.6187,5.3014,7.8424;-6.5435,3.9718,7.0783;-13.3681,7.1193,6.4124;-8.0716,1.6814,6.6209;-8.8834,8.0262,4.8817;-9.3552,10.0042,8.1177;-11.9132,7.8043,8.7562;-4.9735,7.6265,6.7142;1.0864,.743,4.8785;3.8267,3.2165,4.0485;-2.0656,1.0083,3.3598;.8165,.015,1.4469;.749,4.2999,6.0753;-9.0523,4.379,6.07;-9.0158,7.5323,9.84;-12.9942,8.2325,11.6852;-6.9288,6.8141,8.4297;-10.5486,9.6224,10.5557;-1.0747,-.1654,2.1508;-4.8729,1.6152,6.0471;-9.2055,7.0997,7.3421;-7.4828,2.6897,12.1303;-5.4316,5.6462,6.6351;-8.6585,11.741,10.3232;.9691,-1.5662,.6846;-8.7823,5.1605,8.9581;-11.4649,5.7392,10.4847;-10.0801,7.5162,12.3089;2.4832,.7816,1.0697;5.2003,3.0394,5.1366;1.5517,-.3576,6.1678;-8.9081,5.5515,3.3977;-7.7156,7.461,13.8934;-9.2535,10.8267,5.3551;-6.4467,7.1546,11.3212;-10.1202,3.0672,8.1281;-7.24,9.2532,6.6701;-9.8674,3.5184,10.7612;-12.5216,3.2305,9.6597;-2.4941,2.5348,4.423;4.4915,2.4404,2.4681;-6.2434,4.6831,10.4699;-7.7373,2.7473,9.2794;5.058,1.8214,-.5125;-8.3479,5.4308,11.9307;4.7645,.9491,-.8474;/R:/0/N:51,83,80,28,107,79,30,88,66,102,32,93,54,11,35,94,97,85,87,96,37,6,95,67,19,53,84,89,34,40,31,92,24,104,70,90,71,57,81,91,29,33,25,64,16,62,15,82,61,99,77,18,21,47,63,101,20,48,100,105,13,56,59,98,68,106,17,7,69,108,22,45,60,14,43,65,23,103,78,26,27,58,12,8,55,86,10,4,75,49,39,2,73,46,38,50,41,3,74,1,72,44,36,52,42,5,76/E:(1,2)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(35,36)(37,38)(39,40)(41,42)(47,48)(49,50)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(75,76)(77,78)(88,89)(90,91)(92,93)(94,95)(96,97)(98,99)(100,101)(102,103)(104,105)(106,107)/CRV:1.5,2.5,3.1,4.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,75.3,76.3,77.3,78.3,79.3,80.3,81.4,82.4,83.4,84.5,85.5,86.5,87.5</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>233325.29791900</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>1794.80816800</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>242733.12974906</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges.spin" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spin">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="109">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H Tc O P O O O O O O O O O O O O O O O O O O O O O O O W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs O O Tc O O O O O O O O O O O O O O O O O O O O O O H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="109">2.462418 2.447323 2.455155 2.437168 2.462633 -0.831939 -0.946731 2.211021 0.060122 2.266986 -0.824314 1.984920 -0.965705 -0.954867 -0.960835 -0.968119 -0.946721 -0.962947 -0.868297 -0.959929 -0.949977 -0.956598 -1.055455 -1.002372 -0.974711 -1.037822 -1.111154 -1.043950 -0.998332 -0.838027 -1.015678 -0.832968 -0.999044 -1.025422 -0.819850 2.465211 -0.834259 2.453527 2.459938 -1.025460 2.441929 2.461036 -1.042616 2.464950 -0.956453 2.452979 -0.950063 -0.960159 2.459624 2.442696 1.040125 2.461709 -0.872634 -0.825956 2.311141 -0.964634 -0.988333 1.984906 -0.960422 -0.953869 -0.957798 -0.961250 -0.949036 -0.962441 -1.044179 -0.829287 -0.859051 -0.941027 -0.959341 -1.018023 -0.988504 2.462822 2.447580 2.453534 2.437726 2.463452 -0.969704 -1.047381 -0.665884 -1.031700 -0.999392 -0.961499 1.037756 -1.026124 -0.814087 2.238589 -0.825820 -0.835903 -1.026061 -1.016592 -1.004597 -1.012310 -0.834004 -0.819731 -0.860283 -0.827548 -0.814305 -0.961699 -0.956939 -0.952580 -0.948872 -0.826949 -1.057451 -1.003840 -0.952053 -0.940723 -0.676621 -0.959397 0.057632</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">1.899850 1.896750 1.904698 1.892582 1.898771 -0.740196 -0.756781 1.493521 0.368402 1.566218 -0.730815 1.572709 -0.716996 -0.783988 -0.787932 -0.795221 -0.756970 -0.707489 -0.738447 -0.723638 -0.776434 -0.714371 -0.772795 -0.806482 -0.728769 -0.753774 -0.818610 -0.749487 -0.790081 -0.746161 -0.778031 -0.740111 -0.786837 -0.735601 -0.728438 1.902350 -0.742784 1.895890 1.906854 -0.736927 1.897658 1.900244 -0.778567 1.901663 -0.714362 1.895877 -0.777528 -0.723577 1.904796 1.897740 0.777270 1.894661 -0.741494 -0.732392 1.571613 -0.718291 -0.788658 1.570996 -0.719332 -0.779170 -0.780406 -0.793078 -0.774329 -0.716428 -0.783804 -0.737543 -0.730035 -0.753716 -0.725277 -0.774047 -0.791689 1.899580 1.896268 1.903392 1.890272 1.899454 -0.716815 -0.752068 -0.863744 -0.756549 -0.780035 -0.787093 0.779292 -0.737238 -0.720636 1.605693 -0.732916 -0.743805 -0.737055 -0.767864 -0.802014 -0.764914 -0.741165 -0.728442 -0.728663 -0.733889 -0.721133 -0.718017 -0.781626 -0.713254 -0.773747 -0.734607 -0.778780 -0.809980 -0.712376 -0.751424 -0.857313 -0.723251 0.363235</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">2.010332 1.995572 1.991669 1.998845 1.996372 -0.708657 -0.807831 1.783086 0.393647 1.672436 -0.700663 1.544671 -0.800432 -0.831390 -0.824913 -0.841732 -0.809616 -0.807767 -0.716556 -0.808176 -0.817053 -0.802226 -0.805655 -0.859448 -0.814052 -0.807969 -0.843620 -0.822827 -0.805577 -0.709464 -0.901250 -0.703545 -0.802857 -0.798946 -0.689682 2.011120 -0.710298 1.991307 2.006017 -0.811876 1.984705 2.007069 -0.817030 2.011582 -0.800391 1.988745 -0.820578 -0.807481 2.007035 1.989413 0.850491 2.003763 -0.718855 -0.701075 1.835294 -0.799789 -0.804042 1.541863 -0.796484 -0.824803 -0.823244 -0.833487 -0.813749 -0.803932 -0.816449 -0.699257 -0.704355 -0.804712 -0.807067 -0.880736 -0.807099 2.010267 1.994605 1.989097 1.991710 1.999880 -0.813823 -0.803207 -0.880153 -0.828231 -0.863142 -0.821737 0.850618 -0.800907 -0.684271 1.716353 -0.696816 -0.707858 -0.817806 -0.852713 -0.879045 -0.870854 -0.705640 -0.690915 -0.703845 -0.697495 -0.682933 -0.797517 -0.821739 -0.802749 -0.812735 -0.695723 -0.808338 -0.870317 -0.798552 -0.802089 -0.873265 -0.804456 0.369997</array>
                  </list>
               </module>
               <module cmlx:templateRef="spin.density" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="spinDensity">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="109">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H Tc O P O O O O O O O O O O O O O O O O O O O O O O O W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs O O Tc O O O O O O O O O O O O O O O O O O O O O O H</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="109">0.029679 0.011328 0.019788 0.016595 0.018725 0.012781 0.008615 -1.586600 0.011740 1.844700 0.008241 0.001756 0.004438 0.037179 0.007256 0.011028 0.008850 0.032270 0.015365 0.002986 0.002909 0.007859 0.122871 -0.082781 0.012710 0.019824 0.078190 -0.012118 0.114215 -0.024817 -0.078247 -0.016665 0.135797 -0.000064 -0.001191 -0.008324 0.009170 -0.000268 0.020313 -0.000251 -0.009234 0.018369 0.031611 -0.008405 0.007842 -0.006534 0.002866 0.003202 0.020313 -0.001296 0.000841 0.019210 0.011579 -0.000867 2.015232 0.004508 0.034922 0.001794 -0.001349 0.033634 0.000257 0.000803 0.002414 0.033816 0.006375 0.021987 -0.001662 0.003517 0.002312 0.132431 0.007480 0.028807 0.009477 0.016053 0.017983 0.023128 0.005041 0.014123 0.120710 0.005389 0.140686 0.006120 0.000595 0.000694 0.000400 0.296298 0.012515 -0.026823 0.000622 0.153327 0.126951 -0.088190 -0.014835 -0.001160 0.006907 0.012293 0.000394 -0.001425 -0.001042 0.003446 0.002674 0.024316 0.105073 -0.072438 0.003332 0.003470 -0.127907 0.001820 -0.012645</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">0.025343 0.005007 0.022969 0.011073 0.023325 0.015835 0.011135 -1.225462 0.053374 1.441670 0.008751 0.001947 0.004873 0.040623 0.008329 0.007437 0.011574 0.034162 0.018517 0.001373 0.002968 0.011895 0.173112 -0.139400 0.009683 0.045218 0.176787 -0.037897 0.174198 -0.024937 -0.128959 -0.016663 0.196524 0.000329 0.000447 -0.006290 0.011662 0.000847 0.025109 0.000278 -0.006793 0.021705 0.037345 -0.006462 0.012253 -0.004562 0.003076 0.001905 0.023985 0.000237 0.008233 0.022520 0.014259 -0.001075 1.558440 0.004921 0.045441 0.002292 -0.001814 0.035281 0.000078 0.001904 0.004642 0.036359 0.015251 0.025605 -0.001594 0.003026 0.006124 0.197074 0.019334 0.024689 0.003898 0.019436 0.012139 0.027431 0.005180 0.043857 0.208473 0.007335 0.193443 0.007343 0.006970 0.002382 0.000215 0.246141 0.014934 -0.026915 0.002462 0.223779 0.188449 -0.133724 -0.014673 0.000459 0.007662 0.014552 0.000179 -0.001850 -0.001069 0.002248 0.005555 0.028495 0.158048 -0.124322 0.002335 0.002591 -0.192881 0.006112 -0.047110</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">0.025324 0.009355 0.020574 0.012548 0.019500 0.013746 0.012985 -1.210305 0.033593 1.452647 0.009104 0.000422 0.005819 0.039159 0.008868 0.013971 0.013627 0.035360 0.017112 0.001464 0.002991 0.013958 0.176431 -0.157978 0.015313 0.039152 0.166357 -0.029835 0.183702 -0.024832 -0.144646 -0.016030 0.208799 -0.000892 -0.000037 -0.006978 0.009789 0.000698 0.018114 -0.002111 -0.007077 0.019411 0.038120 -0.006352 0.013598 -0.004828 0.002075 0.000427 0.018499 0.000099 0.007580 0.020458 0.012913 -0.000898 1.543388 0.005748 0.048206 0.000882 -0.001443 0.033706 -0.000967 0.002856 0.004975 0.032362 0.013232 0.024242 -0.001427 0.002883 0.009430 0.218951 0.018071 0.023857 0.005716 0.017179 0.013529 0.023131 0.006116 0.041685 0.210149 0.006649 0.200065 0.007656 0.005516 0.001568 0.000082 0.242656 0.012951 -0.026695 -0.000150 0.250479 0.201475 -0.140959 -0.014372 -0.000093 0.007953 0.012133 0.000237 -0.001152 -0.002867 0.001936 0.005022 0.026907 0.160277 -0.139202 0.001720 0.002211 -0.189627 0.007095 -0.036788</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-772.301714</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">566.632833</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">169.673385</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-797.609673</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-87.749605</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-921.354762</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="109">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H Tc O P O O O O O O O O O O O O O O O O O O O O O O O W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs O O Tc O O O O O O O O O O O O O O O O O O O O O O H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="109">2.39950512 2.36843396 2.46552803 2.35402650 2.39187641 -0.80263338 -0.96146570 1.80983099 0.28552944 1.97972027 -0.79670453 2.45957403 -0.95471888 -0.96476956 -0.97504312 -0.97181760 -0.96150715 -0.97705637 -0.82715047 -0.95549006 -0.96468109 -0.95196813 -1.01404763 -0.93747774 -0.96275652 -0.98602936 -0.97960407 -1.00384323 -0.95828454 -0.80422245 -0.95276559 -0.80166366 -0.96061164 -1.02084247 -0.79183198 2.40771098 -0.80428763 2.37522774 2.38792219 -1.02013874 2.45036022 2.39157857 -0.99654636 2.40669200 -0.95154613 2.37415841 -0.96436625 -0.95606931 2.38693190 2.45227641 0.88319697 2.39618070 -0.83013569 -0.79783763 1.96183832 -0.95387606 -0.94327418 2.46181311 -0.95150631 -0.96260870 -0.97459536 -0.96935806 -0.96330898 -0.95595415 -0.99488358 -0.79637750 -0.81967292 -0.96033449 -0.95366564 -0.96632209 -0.94330881 2.40008012 2.36902104 2.46365375 2.35694845 2.39264016 -0.98167948 -1.00913879 -0.82207723 -0.99069813 -0.95517499 -0.97580469 0.88649586 -1.02222559 -0.78712031 1.97867562 -0.79507501 -0.80265282 -1.02105849 -0.96387327 -0.95090164 -0.95136907 -0.80221779 -0.79188749 -0.82088499 -0.79656069 -0.78706828 -0.95272339 -0.97357751 -0.95257720 -0.96286625 -0.79480481 -1.01277799 -0.93664197 -0.95200221 -0.95963470 -0.83287145 -0.95426410 0.28374455</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">0.03798386 0.01766718 0.02389326 0.02204590 0.02118963 0.01212333 0.00577732 -1.83459150 0.00772080 2.12745007 0.00852020 0.00309009 0.00348656 0.03711762 0.00657329 0.01051415 0.00580192 0.03168847 0.01432376 -0.00055153 -0.00092026 0.00475585 0.07506941 -0.04443803 0.01133838 0.00024310 -0.01137602 0.00753396 0.06424698 -0.02590718 -0.03930233 -0.01753713 0.08163455 -0.00024739 -0.00253406 -0.01111777 0.00856866 -0.00218116 0.02358632 -0.00025714 -0.01254356 0.02081750 0.02527755 -0.01118627 0.00458001 -0.00851363 -0.00095146 -0.00010469 0.02411880 -0.00334025 0.00052492 0.02091033 0.01070655 -0.00043769 2.31870489 0.00358939 0.02375918 0.00532534 -0.00137909 0.03388762 0.00056506 0.00085950 0.00114233 0.03345744 0.00537809 0.02127773 -0.00124245 0.00451121 0.00107194 0.07806847 0.00178969 0.03685364 0.01480222 0.01957755 0.02468473 0.02607051 0.00526586 -0.00865156 0.06189356 0.00111882 0.08495987 0.00525699 0.00054072 0.00016741 0.00077297 0.34917400 0.01212508 -0.02811515 0.00018426 0.09786036 0.07279584 -0.04816192 -0.01544279 -0.00246264 0.00691904 0.01172560 0.00077369 -0.00160992 -0.00065459 0.00468392 0.00132625 0.02379560 0.05974748 -0.03556392 0.00448465 0.00472561 -0.06925038 0.00064001 -0.00662094</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">70.12071983 -99.20621344 -108.43888368</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">146.972325</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">-70.13235404 1477.27291687 2030.29373342 405.92972548 -1927.67590334 -335.79737144</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">6.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">8.44083015</scalar>
               </module>
               <module cmlx:templateRef="orbital.energies.spin.zora"
                       dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="4406">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="4406">1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 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 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 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</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="4406"
                            units="nonsi:electronvolt">-79.685623 -79.685164 -79.615291 -79.613914 -79.613831 -79.599297 -79.583930 -79.572267 -79.553572 -79.545196 -79.526856 -79.524465 -79.522498 -79.519560 -79.510110 -79.505521 -79.455463 -79.452487 -79.405548 -79.396923 -44.533641 -44.533025 -44.462759 -44.462068 -44.445216 -44.422753 -44.414288 -44.409565 -44.397641 -44.392166 -44.378511 -44.359182 -44.358526 -44.351748 -44.351066 -44.346840 -44.333386 -44.326119 -44.320139 -44.317418 -44.314198 -44.297408 -44.294161 -44.292824 -44.288289 -44.265462 -44.262371 -44.261025 -44.258302 -44.249645 -44.245211 -44.240107 -44.238087 -44.224577 -44.224196 -44.210526 -44.208126 -44.205934 -44.200681 -44.200256 -44.183272 -44.176483 -44.170486 -44.168684 -44.167808 -44.161407 -44.155134 -44.154284 -44.147404 -44.138369 -44.136017 -44.133320 -44.130498 -44.097466 -44.087500 -44.075305 -44.071309 -44.050886 -44.033233 -44.018079 -26.520642 -26.431835 -25.326915 -25.312659 -24.197441 -24.190219 -24.105984 -24.103526 -24.096033 -24.017450 -23.384733 -23.293197 -23.283557 -23.144629 -23.086926 -23.060041 -23.022011 -23.010970 -22.944002 -22.905114 -22.891544 -22.852938 -22.830184 -22.789751 -22.764958 -22.739713 -22.726954 -22.680988 -22.650475 -22.636521 -22.558036 -22.526048 -22.516181 -22.438760 -22.434137 -22.407771 -22.402729 -22.373570 -22.341721 -22.339899 -22.331828 -22.302562 -22.289707 -22.274703 -22.268102 -22.247824 -22.244850 -22.242367 -22.236449 -22.220592 -22.204884 -22.191272 -22.184393 -22.178864 -22.170925 -22.168015 -22.165374 -22.161214 -22.151697 -22.139209 -22.128455 -22.106898 -22.101385 -22.086345 -22.076942 -22.066286 -22.058358 -22.044926 -22.034188 -22.015594 -21.990887 -21.965107 -21.948687 -21.905885 -21.861550 -21.837197 -21.784521 -21.730911 -21.725894 -21.678347 -21.619070 -14.295680 -14.208356 -12.385726 -12.365893 -12.346597 -12.340060 -12.324752 -12.310999 -12.089785 -12.009137 -11.981988 -11.952919 -11.918742 -11.896511 -11.707408 -11.661204 -11.630802 -11.564392 -11.329921 -11.312743 -11.196327 -11.176798 -11.076893 -11.004221 -10.990494 -10.920931 -10.885768 -10.874775 -10.816809 -10.791235 -10.766094 -10.748619 -10.694580 -10.654299 -10.652702 -10.590166 -10.506235 -10.490441 -10.483709 -10.399831 -10.359090 -10.335246 -10.325219 -10.320328 -10.260398 -10.232397 -10.231165 -10.216428 -10.166978 -10.156324 -10.119372 -10.067755 -10.043942 -10.005485 -9.975874 -9.966732 -9.911098 -9.895445 -9.844558 -9.793753 -9.734889 -9.605829 -9.586500 -9.561006 -9.535814 -9.518554 -9.499456 -9.492266 -9.479147 -9.432811 -9.428351 -9.411564 -9.407993 -9.403034 -9.388456 -9.346692 -9.329292 -9.287287 -9.285216 -9.276069 -9.257617 -9.208325 -9.186889 -9.164063 -9.136292 -9.132669 -9.119508 -9.063482 -9.051960 -9.048484 -9.039281 -9.008506 -8.994308 -8.977893 -8.977141 -8.948312 -8.939185 -8.924865 -8.902894 -8.890063 -8.868150 -8.851505 -8.832324 -8.815120 -8.810964 -8.798067 -8.785695 -8.750939 -8.746571 -8.731604 -8.728938 -8.713995 -8.702344 -8.698427 -8.679795 -8.672712 -8.661317 -8.645420 -8.614760 -8.611800 -8.605023 -8.584806 -8.576706 -8.565285 -8.531315 -8.499639 -8.486720 -8.463694 -8.418336 -8.377243 -8.345610 -8.332402 -8.294233 -8.262769 -8.258084 -8.254486 -8.250684 -8.241503 -8.229223 -8.227007 -8.178420 -8.154858 -8.136206 -8.127707 -8.096101 -8.080508 -8.046855 -8.025141 -8.005791 -7.964214 -7.949863 -7.916515 -7.911746 -7.859711 -7.854591 -7.798802 -7.790072 -7.753126 -7.717094 -7.648503 -7.637841 -7.630887 -7.589824 -7.538106 -7.508229 -7.469273 -7.464530 -7.409924 -7.380383 -7.351811 -7.326506 -7.318156 -7.298494 -7.291954 -7.227607 -7.187098 -7.164845 -7.150762 -7.135717 -7.121650 -7.111274 -7.083130 -7.041892 -7.029043 -7.011142 -6.981561 -6.963875 -6.953871 -6.900631 -6.876596 -6.848490 -6.833416 -6.829653 -6.824020 -6.785689 -6.753677 -6.723921 -6.708966 -6.694406 -6.677748 -6.670846 -6.657040 -6.640838 -6.621407 -6.587591 -6.582853 -6.580258 -6.571530 -6.566961 -6.545933 -6.528406 -6.507879 -6.504706 -6.495663 -6.478977 -6.461707 -6.446334 -6.439015 -6.430065 -6.423141 -6.417285 -6.401437 -6.385972 -6.354272 -6.348185 -6.308332 -6.293161 -6.250044 -6.200779 -6.196073 -6.169236 -6.111186 -6.082854 -6.078893 -5.989708 -5.969488 -5.933760 -5.903293 -5.883083 -5.855708 -5.806975 -5.700652 -5.616328 -4.786600 -4.590865 -4.540340 -4.442501 -4.390875 -4.270994 -3.884528 -3.844689 -3.377710 -3.142795 -3.070486 -3.030450 -2.936395 -2.885544 -2.832402 -2.778468 -2.699653 -2.666636 -2.614635 -2.517322 -2.453426 -2.430145 -2.347100 -2.322577 -2.291620 -2.262952 -2.247066 -2.203499 -2.125441 -2.122381 -2.064230 -2.026234 -2.001183 -1.977929 -1.951876 -1.933655 -1.932886 -1.922501 -1.845826 -1.831375 -1.804250 -1.764119 -1.732914 -1.679090 -1.673525 -1.666230 -1.626998 -1.609249 -1.549897 -1.538042 -1.493239 -1.471823 -1.426746 -1.418782 -1.403382 -1.323052 -1.314245 -1.235116 -1.202620 -1.146987 -1.114324 -1.107543 -1.106887 -1.090601 -1.049675 -1.036494 -1.033414 -0.977687 -0.968087 -0.933474 -0.916135 -0.872722 -0.860183 -0.855035 -0.789223 -0.726152 -0.680718 -0.650405 -0.574363 -0.563512 -0.238819 -0.175622 -0.086635 -0.033664 0.031044 0.085172 0.152527 0.206773 0.225723 0.316697 0.432657 0.493717 0.539394 0.540857 0.632865 0.635347 0.689750 0.763688 0.798039 0.820957 0.846873 0.890453 0.903798 0.912801 0.926692 0.950575 0.961360 0.992056 1.035597 1.097471 1.121497 1.136402 1.175890 1.193669 1.197155 1.230993 1.250416 1.266226 1.314380 1.382064 1.485288 1.536616 1.542097 1.582869 1.614036 1.621094 1.630295 1.647123 1.690691 1.704296 1.750050 1.756386 1.884551 1.897192 1.956979 1.998000 2.033418 2.066811 2.112966 2.115295 2.236672 2.392801 2.453057 2.546121 2.548391 2.641255 2.674168 2.777440 2.790868 2.822711 2.881352 2.920770 2.926270 2.971271 3.000618 3.065791 3.118818 3.189209 3.249079 3.410925 3.416893 3.482933 3.487773 3.531087 3.542650 3.552821 3.618024 3.667877 3.697933 3.711953 3.783531 3.802771 3.805118 3.898583 4.000873 4.067200 4.111824 4.137167 4.251020 4.255442 4.333330 4.361826 4.434220 4.470417 4.499445 4.507015 4.571583 4.599061 4.628991 4.652187 4.694742 4.707381 4.780154 4.851804 4.870720 4.912295 4.964010 4.997899 5.038564 5.070767 5.132470 5.162657 5.182896 5.213001 5.292715 5.318123 5.332591 5.365882 5.455226 5.467907 5.491626 5.528620 5.579042 5.634704 5.782120 5.836719 5.850221 5.894671 5.939651 5.961561 5.982608 6.029456 6.078830 6.127619 6.153216 6.168201 6.170504 6.247559 6.337468 6.421089 6.481352 6.536086 6.552380 6.595395 6.596732 6.716762 6.802227 6.808938 6.828972 6.847179 6.872963 6.927937 7.019753 7.026136 7.052865 7.096706 7.137439 7.219919 7.240448 7.262235 7.313424 7.330127 7.355949 7.405602 7.425312 7.468424 7.487551 7.502750 7.530015 7.578338 7.634669 7.657813 7.670901 7.719376 7.758849 7.759765 7.805032 7.831623 7.852285 7.874888 7.920148 7.987334 8.009948 8.113026 8.133143 8.156038 8.170644 8.217122 8.333176 8.372371 8.412802 8.450132 8.471925 8.520757 8.551106 8.581881 8.618122 8.648755 8.787428 8.813946 8.865088 8.888716 8.906499 8.951687 8.983802 9.022462 9.067288 9.126778 9.156592 9.176192 9.244156 9.263098 9.298560 9.310212 9.371126 9.396405 9.404581 9.411555 9.503425 9.526098 9.565181 9.629718 9.662772 9.670862 9.700706 9.704474 9.784860 9.787194 9.846646 9.902671 9.990323 10.010431 10.066120 10.082679 10.129301 10.169201 10.201383 10.217762 10.270001 10.305920 10.347523 10.385959 10.398866 10.455345 10.490416 10.542961 10.576132 10.600915 10.606587 10.639286 10.723139 10.793910 10.804012 10.836388 10.865855 10.874284 10.907047 10.914641 11.037564 11.047492 11.078143 11.131853 11.166644 11.200365 11.280156 11.306546 11.370459 11.387548 11.399883 11.422639 11.534811 11.577780 11.636336 11.651781 11.742027 11.752689 11.817198 11.872124 11.924009 11.952860 11.972713 11.989053 12.037318 12.042656 12.129059 12.173666 12.200943 12.258225 12.290989 12.335235 12.374880 12.406943 12.481000 12.570121 12.580639 12.659377 12.725746 12.797441 12.858311 12.885748 12.958139 13.023192 13.037981 13.105891 13.208414 13.254525 13.294628 13.329699 13.391924 13.423894 13.486136 13.638943 13.702404 13.816423 13.861958 13.892100 13.969668 14.045587 14.074597 14.124623 14.197455 14.324302 14.371899 14.484051 14.586967 14.615700 14.681724 14.775912 14.781009 14.954581 14.971653 15.020728 15.105707 15.170784 15.224292 15.308496 15.432121 15.542578 15.595941 15.616804 15.718499 15.786448 15.845705 15.892725 15.948639 16.051439 16.189669 16.246205 16.376591 16.433859 16.494268 16.554146 16.577414 16.654804 16.698629 16.767627 16.853440 16.984072 17.109379 17.214215 17.257729 17.316866 17.352858 17.518903 17.528295 17.562631 17.586834 17.606921 17.627108 17.643663 17.658133 17.771555 17.826636 17.873536 17.963673 18.030058 18.054825 18.096546 18.169418 18.242291 18.264259 18.301853 18.342172 18.375381 18.394645 18.447957 18.461519 18.492214 18.577578 18.661160 18.738108 18.753185 18.780655 18.826178 18.861885 18.894703 18.934958 18.957584 19.074358 19.144163 19.211895 19.346465 19.402320 19.432200 19.495343 19.546719 19.577109 19.652259 19.766390 19.798903 19.826968 19.844777 19.878883 19.975467 20.030920 20.054462 20.141160 20.171762 20.212087 20.289789 20.319506 20.366034 20.421083 20.468068 20.537817 20.554304 20.602792 20.679389 20.722711 20.767371 20.780473 20.785124 20.857394 20.875912 20.944093 20.955316 21.040258 21.093346 21.123998 21.197454 21.238529 21.280552 21.330388 21.420378 21.437027 21.553266 21.605365 21.621314 21.688701 21.737988 21.832205 21.881639 21.911692 21.948231 22.059394 22.104168 22.140087 22.166267 22.264210 22.306213 22.430926 22.508824 22.533403 22.579994 22.628125 22.710220 22.758335 22.790918 22.842464 22.922804 23.015555 23.031786 23.110791 23.140095 23.199983 23.214977 23.279318 23.294085 23.353856 23.400415 23.510547 23.602237 23.610801 23.678571 23.775890 23.830634 23.899509 23.926933 24.071737 24.085268 24.136257 24.153469 24.197535 24.253509 24.330423 24.471285 24.485321 24.499620 24.511857 24.636531 24.715943 24.906335 24.958178 24.960972 25.048963 25.086061 25.117946 25.213632 25.281821 25.363558 25.398062 25.480417 25.547808 25.563606 25.767303 25.837060 25.882223 25.944734 26.052768 26.085361 26.135095 26.219819 26.255991 26.380347 26.414079 26.474832 26.578298 26.612354 26.670057 26.691137 26.781794 26.817755 26.826246 26.870879 26.910637 26.960642 26.997941 27.021905 27.043144 27.064214 27.117344 27.203669 27.266311 27.304916 27.378901 27.405585 27.423046 27.446241 27.488036 27.521073 27.610561 27.667976 27.712608 27.742531 27.839025 27.921782 28.023278 28.136479 28.180429 28.293173 28.329206 28.437846 28.489733 28.499138 28.541313 28.568989 28.584255 28.606405 28.624996 28.698970 28.752772 28.827938 28.860578 28.885655 28.931429 28.969530 28.998724 29.027325 29.049100 29.100015 29.176164 29.218358 29.249549 29.312593 29.323206 29.346825 29.401635 29.443625 29.476529 29.491458 29.600205 29.643859 29.697254 29.721340 29.732323 29.792432 29.821998 29.890532 29.929213 29.969080 30.016858 30.026110 30.055974 30.085567 30.110216 30.114891 30.194843 30.333181 30.377795 30.455544 30.496262 30.505466 30.545718 30.620791 30.677109 30.694497 30.777675 30.815439 30.862213 30.926264 30.950929 31.011173 31.013206 31.048018 31.074226 31.169371 31.236680 31.283807 31.324339 31.369486 31.389617 31.411799 31.450656 31.524902 31.548952 31.594710 31.719645 31.771816 31.785935 31.813912 31.835358 31.865225 31.899749 31.979029 32.004584 32.073795 32.137416 32.194268 32.210011 32.233702 32.271567 32.304247 32.344948 32.402439 32.461496 32.486418 32.569103 32.614711 32.675923 32.682433 32.688533 32.753342 32.845374 32.883849 32.925561 32.953665 32.969792 33.017122 33.066558 33.078199 33.094876 33.129220 33.173341 33.195039 33.254735 33.268229 33.293255 33.306054 33.322622 33.366761 33.396719 33.422432 33.443375 33.466161 33.475509 33.488838 33.538020 33.550910 33.568618 33.616776 33.666380 33.708387 33.727477 33.813689 33.870254 33.903988 33.933665 33.945336 33.964133 33.985331 34.045638 34.059431 34.075590 34.083647 34.128247 34.148111 34.196951 34.251702 34.277032 34.305898 34.346430 34.368292 34.411827 34.422078 34.495570 34.516823 34.525696 34.554588 34.569444 34.619534 34.638755 34.659704 34.715105 34.738335 34.758857 34.788493 34.819551 34.877234 34.919722 34.936182 34.969164 34.999812 35.024788 35.035798 35.055421 35.088332 35.118033 35.132777 35.184297 35.218054 35.253582 35.280052 35.307766 35.357668 35.418807 35.458190 35.469648 35.501423 35.525762 35.611661 35.613545 35.648390 35.687164 35.707921 35.768290 35.787398 35.826859 35.843726 35.859797 35.885477 35.924140 35.952127 35.993927 36.077655 36.095528 36.116192 36.176170 36.285127 36.337069 36.347420 36.388898 36.409386 36.446858 36.481520 36.510434 36.552416 36.592599 36.617042 36.647790 36.740353 36.763511 36.805974 36.862021 36.870874 36.899899 36.934925 36.970123 37.033340 37.073557 37.083319 37.114943 37.137363 37.188027 37.228056 37.268583 37.293895 37.316445 37.337211 37.388249 37.420687 37.443600 37.471617 37.529301 37.577795 37.596532 37.649851 37.704806 37.714155 37.730299 37.795936 37.873622 37.882859 37.944453 37.977357 38.028507 38.085196 38.134123 38.176798 38.193170 38.225851 38.277108 38.308724 38.314034 38.374117 38.405768 38.455554 38.470116 38.550721 38.591117 38.608424 38.684829 38.710601 38.760193 38.783854 38.833100 39.001552 39.108798 39.166626 39.239298 39.279919 39.294179 39.348441 39.441174 39.487699 39.544630 39.605287 39.720231 39.813321 39.880322 39.907449 39.992893 40.040859 40.110549 40.233755 40.275852 40.298624 40.355796 40.381962 40.439278 40.462946 40.477693 40.517716 40.544989 40.591734 40.634137 40.693790 40.721846 40.855932 40.882514 40.895862 41.006647 41.023127 41.046359 41.080088 41.141681 41.242613 41.273707 41.304449 41.332076 41.433838 41.522742 41.556064 41.637200 41.644963 41.715885 41.754638 41.821632 41.875988 41.906468 41.952478 41.992184 42.001469 42.073764 42.103884 42.124112 42.294017 42.320769 42.436092 42.514384 42.595421 42.633272 42.708432 42.770446 42.795446 42.800203 43.007484 43.037156 43.111933 43.135020 43.177173 43.216621 43.272356 43.351100 43.406383 43.451582 43.530533 43.579299 43.695987 43.796107 43.812809 43.878272 43.923337 43.957946 44.025950 44.071663 44.125766 44.182340 44.227717 44.274313 44.342732 44.425345 44.463676 44.564055 44.653963 44.764300 44.784214 44.871424 44.921765 45.004465 45.059921 45.073838 45.152137 45.227543 45.249476 45.308284 45.328583 45.386184 45.453500 45.580794 45.596100 45.640723 45.656592 45.813496 45.883649 45.941512 45.978626 46.015940 46.111793 46.252580 46.298303 46.430044 46.501555 46.528277 46.672024 46.758080 46.805776 46.912489 46.965104 47.052551 47.107846 47.210364 47.272129 47.361943 47.423195 47.593925 47.671712 47.699725 47.840789 47.937472 48.038743 48.060341 48.234190 48.357681 48.458172 48.499666 48.635421 48.716948 49.001439 49.090022 49.140148 49.147613 49.225288 49.317652 49.379276 49.471840 49.650977 49.664493 49.870979 50.108862 50.183525 50.320038 50.353682 50.452213 50.470626 50.551739 50.629851 50.785217 50.829696 50.957089 51.040521 51.076411 51.106463 51.303214 51.372163 51.439590 51.480899 51.579965 51.592951 51.712227 51.732005 51.853844 51.914025 52.059667 52.182422 52.249991 52.290271 52.305589 52.411266 52.447603 52.619248 52.666434 52.691989 52.707405 52.768159 52.813394 52.859171 52.902881 52.963306 52.993690 53.043109 53.070273 53.190696 53.229568 53.322309 53.446367 53.513340 53.524644 53.621226 53.655746 53.794110 53.837301 53.996931 54.058779 54.136204 54.309654 54.351266 54.387166 54.425685 54.514027 54.595493 54.646253 54.692057 54.698605 54.800592 54.829891 54.860798 54.992963 55.024993 55.292304 55.384558 55.400690 55.440865 55.472449 55.691905 55.776682 55.799210 55.882497 55.990026 56.162393 56.187897 56.229995 56.350473 56.420622 56.430609 56.544844 56.638701 56.662776 56.775957 56.857972 56.954376 57.070814 57.103623 57.227851 57.290369 57.315280 57.370227 57.438623 57.530513 57.661433 57.725438 57.785119 57.881393 57.926960 58.006027 58.013447 58.182563 58.244455 58.358961 58.377815 58.554518 58.591605 58.680451 58.751292 58.860199 58.994015 59.027068 59.043178 59.101060 59.211482 59.252628 59.314488 59.384807 59.391166 59.458321 59.486470 59.579541 59.637315 59.676011 59.835823 59.896658 59.939956 60.064458 60.138682 60.148991 60.187320 60.305563 60.363729 60.498707 60.575816 60.799924 60.908788 60.939306 61.118417 61.214578 61.275327 61.301502 61.352035 61.484752 61.587153 61.684505 61.742212 61.874035 61.944533 61.958972 62.167193 62.288051 62.489432 63.116981 63.487862 63.615357 63.710585 63.719911 63.762804 63.850334 63.910213 64.040602 64.254039 64.614245 64.988697 65.027963 65.076423 65.152444 65.243503 65.399700 65.420499 65.697295 65.844753 65.974135 66.079494 66.390974 66.549636 66.749650 66.857992 66.938588 67.024364 67.128131 67.202957 67.226213 67.254935 67.322782 67.428986 67.452412 67.559805 67.682983 67.765836 67.836595 67.886615 68.122426 68.210688 68.280693 68.350396 68.410937 68.766818 68.796280 68.847491 68.989839 69.152201 69.355759 69.680899 70.008982 70.292839 70.499186 70.695088 70.849424 71.029074 71.086095 71.271634 71.468264 71.728582 71.992337 72.052719 72.068412 72.175458 72.244831 72.446967 74.224756 74.466738 74.492804 74.541356 74.649136 74.689427 75.438503 75.579951 75.694136 76.094002 76.313105 76.515352 76.739353 77.280824 77.566257 77.649623 77.945092 78.260043 78.707016 78.910158 79.154146 79.318997 79.512077 79.560909 79.787962 79.887819 80.554139 80.600108 81.312681 81.579696 82.304347 82.443113 82.977758 83.176794 83.730645 83.842198 84.522746 84.646126 84.884224 84.940369 84.986247 85.065801 85.100458 85.183274 85.233783 85.324104 85.349923 85.411658 86.174563 86.217914 86.278444 86.626865 87.471171 87.564547 87.604084 87.683166 90.357835 90.709375 91.114001 91.207725 92.132174 92.402750 92.480798 92.526454 94.398505 94.510319 103.708122 103.776980 104.115490 104.197715 104.280343 104.406085 104.538543 104.770456 105.050990 105.114800 105.304809 105.420564 105.638245 105.883281 105.894735 106.246661 107.177269 107.442820 107.524910 107.647967 119.885824 120.154041 122.300556 122.440913 122.581843 122.686584 122.834200 123.066650 123.666180 123.723934 123.998316 124.328338 124.550019 124.713693 124.804888 124.833008 125.013814 125.110580 125.486931 125.614512 125.704607 126.185954 126.302399 126.325766 126.433978 126.523912 126.714289 127.041845 127.321756 127.373124 127.506589 127.655611 127.741648 127.960371 128.115856 128.140598 128.156844 128.277675 128.286071 128.392504 128.459978 128.538806 128.772771 128.843481 129.135981 129.435188 129.464888 129.573583 129.895146 130.115713 130.243583 130.419447 130.525960 130.788530 130.809067 130.929540 131.007625 131.110815 131.142419 131.255864 131.367425 131.464105 131.563264 131.757465 131.816961 131.966953 131.992358 132.257731 132.307288 132.318053 132.369650 132.486418 132.541726 132.607587 132.697813 132.786282 132.893475 133.024686 133.080867 133.190830 133.287822 133.343341 133.720455 134.022311 134.075104 134.084630 134.425672 134.477802 134.624700 134.732610 134.892363 135.312707 135.332597 135.400651 135.515990 135.534405 135.672901 136.004544 136.054058 136.243043 136.348689 136.390491 136.543392 136.873071 137.228234 137.323011 137.594954 137.636217 137.777972 138.023040 138.057342 138.209916 138.306427 138.518677 138.749965 139.088266 139.259414 139.341345 139.649699 140.303112 140.330193 140.362916 140.566967 140.784082 140.844332 140.908166 141.328319 141.430077 141.562669 141.606945 141.677332 141.828326 141.953830 142.172805 142.254178 142.347502 142.638081 142.839780 143.037172 143.272347 143.407474 143.640262 143.900562 143.993243 144.254052 144.666906 144.718877 144.880820 144.923705 144.995820 145.472970 145.557579 145.677280 145.970544 146.567688 146.722305 146.846725 146.985671 147.207177 147.522135 147.705681 147.849684 147.989481 148.090478 148.254132 148.455145 148.522812 148.676012 148.740791 148.945317 149.024051 149.128747 149.186006 149.301818 149.511968 149.741301 150.241485 150.706601 150.730374 151.006480 151.490217 151.504785 152.123275 152.193019 152.407365 152.563534 152.703141 152.826636 153.119328 153.247937 153.446170 153.769665 153.850215 153.959196 154.091019 154.171234 154.368817 154.510448 154.833042 154.862920 155.133345 155.193708 155.312429 155.339583 155.786260 156.067884 156.094789 156.194434 156.274847 156.447976 156.545006 156.805451 156.944233 157.072559 157.258201 157.379055 157.482715 157.621456 158.596417 158.746389 158.826479 158.920571 159.111202 159.281420 159.446161 159.523814 159.739522 159.811240 160.991956 161.421217 162.062032 162.151655 162.982339 163.106361 163.311193 163.888448 164.665907 165.510576 165.830310 165.980615 166.140472 166.398379 166.485865 167.029933 167.209382 167.646643 167.704328 167.752012 168.474322 168.918759 169.253747 169.328403 169.503472 169.660339 169.840804 170.160624 170.375404 170.454810 170.497995 171.384432 171.757068 171.848631 172.222636 172.569812 172.618010 172.896056 173.165273 173.285852 173.612179 174.141549 174.160794 174.283801 175.046435 175.477344 175.578305 175.809393 176.322812 176.441945 177.308739 177.745438 177.868393 178.666150 178.690152 179.634062 180.280115 180.634704 181.293772 181.962117 182.982423 183.237113 183.730072 184.889087 185.081817 185.888488 186.065848 189.092289 190.066771 922.551564 922.781057 923.479002 923.729122 924.984546 925.887036 926.059605 926.739297 928.469400 928.976850 929.248149 930.090070 930.796490 931.766988 932.151840 932.634096 933.440188 933.557330 934.142472 934.256637 934.502827 934.792658 935.412864 936.284567 936.525371 936.761300 937.117642 937.539769 937.655772 937.734743 937.900086 938.197378 938.361222 938.640965 939.962884 940.285377 940.610796 940.978589 941.827531 942.481357 943.164937 943.311823 944.276207 944.875106 945.469180 945.935076 946.556887 947.327707 947.958506 948.212769 949.657623 950.500061 950.671180 951.188881 951.479457 952.124466 952.924698 953.351934 953.503739 954.881600 956.432403 956.615696 957.269990 966.763354 967.533407 967.810447 968.415163 971.399611 971.974824 972.844821 974.249970 976.183653 977.239227 980.586227 981.411199 982.364102 982.685691 982.818781 983.294406 48084.561249 48089.092387 82910.077857 82912.222264 82923.708835 82926.913975 82932.309670 82933.383393 82935.479562 82936.507270 82941.636299 82941.922775 82942.057391 82942.926190 82946.567293 82947.445976 82948.191475 82949.016633 82949.511591 82950.535099 82955.212124 82955.973309 -79.725232 -79.724811 -79.638908 -79.634168 -79.632323 -79.624760 -79.609671 -79.597752 -79.589546 -79.584952 -79.561880 -79.557742 -79.550080 -79.545492 -79.537452 -79.530798 -79.483364 -79.481320 -79.428508 -79.420807 -44.549526 -44.548906 -44.467042 -44.466111 -44.448376 -44.425864 -44.422234 -44.417561 -44.409352 -44.402144 -44.390480 -44.378159 -44.376398 -44.367975 -44.354304 -44.349004 -44.343817 -44.338806 -44.337204 -44.330394 -44.323636 -44.312090 -44.299427 -44.286303 -44.280738 -44.271982 -44.267359 -44.263369 -44.262311 -44.244341 -44.243019 -44.241940 -44.238625 -44.234655 -44.224621 -44.221831 -44.219475 -44.213741 -44.208019 -44.199201 -44.191754 -44.182985 -44.179222 -44.177698 -44.177477 -44.170471 -44.167814 -44.155566 -44.149153 -44.144817 -44.132506 -44.130440 -44.129963 -44.097172 -44.090030 -44.069775 -44.060718 -44.041507 -44.028358 -44.008755 -26.521951 -26.430401 -25.330646 -25.316350 -24.199764 -24.191032 -24.107795 -24.099239 -24.095135 -24.014177 -23.370519 -23.283811 -23.200276 -23.185723 -23.140690 -23.055976 -23.005564 -22.993990 -22.915241 -22.906711 -22.871420 -22.810883 -22.808842 -22.777233 -22.751757 -22.731565 -22.728586 -22.666814 -22.628878 -22.615384 -22.522690 -22.518732 -22.468975 -22.427334 -22.410407 -22.391169 -22.369793 -22.357138 -22.338357 -22.303595 -22.301140 -22.294554 -22.288469 -22.282563 -22.256224 -22.240855 -22.232712 -22.225979 -22.216431 -22.209609 -22.184638 -22.176859 -22.168147 -22.158728 -22.146883 -22.146066 -22.140722 -22.137585 -22.131388 -22.124346 -22.121497 -22.099097 -22.098085 -22.087007 -22.085683 -22.082554 -22.058365 -22.042543 -22.023657 -22.011725 -21.978485 -21.939446 -21.934416 -21.892733 -21.844574 -21.796414 -21.732339 -21.706339 -21.671893 -21.648764 -21.591305 -14.286304 -14.205856 -12.385276 -12.360768 -12.347309 -12.338066 -12.323052 -12.309044 -12.049480 -12.007313 -11.963632 -11.959005 -11.918202 -11.880532 -11.704569 -11.658651 -11.623216 -11.554539 -11.262254 -11.242461 -11.166970 -11.158184 -11.071532 -11.000589 -10.983104 -10.910616 -10.878536 -10.868160 -10.809778 -10.757501 -10.746468 -10.740686 -10.696913 -10.648942 -10.604541 -10.573533 -10.470950 -10.410553 -10.398681 -10.364433 -10.327095 -10.311723 -10.297135 -10.252643 -10.236762 -10.224960 -10.218725 -10.188017 -10.168662 -10.116812 -10.098690 -10.047035 -10.023319 -9.986682 -9.952754 -9.908956 -9.890400 -9.830015 -9.798763 -9.753481 -9.706340 -9.592422 -9.528053 -9.517220 -9.501698 -9.493183 -9.486092 -9.468707 -9.453910 -9.449226 -9.416132 -9.393599 -9.389347 -9.372866 -9.354240 -9.303702 -9.270290 -9.265375 -9.250988 -9.243502 -9.220636 -9.191399 -9.170605 -9.160826 -9.123284 -9.107160 -9.106198 -9.053968 -9.031679 -9.026019 -9.013112 -8.973478 -8.971931 -8.956588 -8.927481 -8.916640 -8.910756 -8.905337 -8.881692 -8.879019 -8.841883 -8.807865 -8.801737 -8.795619 -8.784699 -8.759188 -8.752115 -8.746388 -8.741596 -8.710377 -8.703658 -8.695356 -8.690319 -8.671421 -8.656965 -8.651399 -8.631097 -8.628433 -8.609683 -8.599102 -8.597323 -8.578004 -8.557676 -8.553841 -8.519334 -8.494269 -8.488760 -8.359838 -8.352022 -8.334700 -8.323957 -8.317063 -8.289803 -8.287734 -8.253248 -8.245250 -8.223638 -8.208234 -8.202904 -8.185461 -8.147456 -8.135501 -8.127279 -8.117084 -8.078408 -8.064605 -8.021354 -7.984956 -7.933929 -7.895906 -7.851615 -7.839708 -7.831089 -7.783265 -7.772421 -7.769266 -7.739683 -7.697511 -7.692483 -7.678565 -7.610799 -7.576621 -7.516635 -7.503926 -7.485028 -7.449652 -7.388760 -7.369521 -7.353826 -7.344292 -7.301080 -7.257490 -7.232498 -7.205928 -7.163968 -7.162192 -7.123871 -7.110113 -7.094816 -7.083147 -7.054349 -7.049987 -7.019648 -6.995674 -6.987653 -6.969930 -6.919516 -6.899782 -6.893471 -6.868250 -6.840757 -6.807985 -6.784717 -6.779074 -6.760074 -6.758258 -6.733926 -6.696563 -6.663180 -6.646455 -6.640315 -6.627316 -6.623463 -6.611517 -6.579199 -6.574147 -6.562886 -6.556078 -6.541150 -6.506462 -6.495182 -6.492516 -6.478001 -6.472878 -6.461103 -6.443125 -6.428942 -6.425734 -6.418705 -6.416312 -6.409769 -6.390018 -6.381089 -6.342258 -6.320309 -6.303282 -6.280955 -6.254078 -6.191044 -6.150355 -6.114221 -6.093462 -6.038990 -6.014810 -5.936593 -5.928979 -5.928465 -5.847573 -5.833286 -5.831499 -5.761746 -5.668935 -5.577865 -4.477475 -4.210006 -3.946690 -3.901467 -3.748689 -3.531772 -3.272337 -3.213839 -3.145002 -3.099211 -2.923536 -2.884311 -2.862600 -2.810381 -2.766691 -2.663315 -2.583021 -2.561629 -2.477600 -2.473455 -2.357398 -2.343831 -2.319657 -2.283872 -2.237548 -2.215997 -2.180960 -2.166581 -2.105476 -2.077342 -2.057093 -2.020635 -1.975741 -1.970516 -1.945411 -1.925214 -1.906302 -1.880907 -1.840829 -1.774845 -1.739032 -1.723283 -1.685623 -1.662610 -1.643809 -1.605775 -1.592502 -1.548152 -1.516601 -1.507624 -1.471489 -1.470204 -1.367146 -1.296990 -1.289485 -1.277017 -1.231330 -1.173235 -1.140144 -1.132915 -1.105496 -1.101185 -1.074335 -1.061990 -1.028147 -1.027983 -0.989935 -0.949780 -0.924553 -0.910110 -0.864890 -0.861039 -0.830296 -0.741751 -0.696107 -0.624489 -0.605215 -0.585008 -0.550757 -0.326420 -0.315293 -0.168440 -0.089592 -0.029316 0.053452 0.094502 0.162611 0.215377 0.239292 0.334012 0.449715 0.497848 0.543873 0.546981 0.643276 0.645889 0.698064 0.770289 0.803463 0.829061 0.853435 0.904126 0.911662 0.919127 0.932521 0.962849 0.968212 0.999911 1.038589 1.122669 1.130713 1.153754 1.181235 1.202077 1.217019 1.251357 1.256065 1.276091 1.317987 1.391751 1.501931 1.542832 1.556032 1.601293 1.620351 1.632683 1.646156 1.655302 1.705254 1.709240 1.752612 1.761356 1.899347 1.906420 1.968530 2.007624 2.038454 2.079244 2.113272 2.129990 2.255980 2.413836 2.462426 2.556134 2.578124 2.641151 2.697931 2.790571 2.798653 2.854621 2.899857 2.931773 2.938003 2.980503 3.008229 3.074941 3.122955 3.204721 3.259082 3.420847 3.426936 3.489482 3.493901 3.536275 3.555877 3.560772 3.627795 3.677066 3.710564 3.717570 3.791101 3.804726 3.818101 3.924877 4.016983 4.078733 4.115347 4.140523 4.245815 4.265857 4.342943 4.360797 4.440760 4.486226 4.507718 4.511453 4.583327 4.615611 4.649384 4.691461 4.702328 4.721007 4.763905 4.873710 4.883628 4.910733 4.978073 5.018658 5.049222 5.068282 5.148805 5.176464 5.198994 5.229576 5.288437 5.330335 5.339163 5.368863 5.461121 5.475569 5.506308 5.539609 5.607372 5.657961 5.797357 5.844549 5.877487 5.919215 5.953748 5.974002 6.005917 6.043665 6.079716 6.126092 6.168860 6.184176 6.200281 6.271166 6.355684 6.439072 6.486958 6.553948 6.567157 6.600588 6.640825 6.745722 6.804419 6.810276 6.832483 6.850639 6.886273 6.931355 7.019625 7.034981 7.070153 7.091807 7.147820 7.234069 7.256944 7.283154 7.313478 7.358812 7.391581 7.420143 7.438395 7.485524 7.502613 7.518529 7.538631 7.582768 7.638611 7.667904 7.687356 7.723768 7.773468 7.788622 7.845853 7.859575 7.865365 7.878323 7.929774 8.013489 8.047221 8.113833 8.149056 8.182587 8.210875 8.240321 8.356556 8.382529 8.436152 8.478672 8.494564 8.550373 8.581930 8.613809 8.621918 8.669493 8.798517 8.845777 8.881625 8.910303 8.927599 8.979331 9.030008 9.054293 9.072849 9.133785 9.158728 9.188859 9.239892 9.272792 9.311859 9.344075 9.377074 9.390329 9.428271 9.433921 9.513087 9.565800 9.584658 9.662366 9.671853 9.682748 9.708674 9.753056 9.794048 9.820913 9.884942 9.929817 10.011076 10.029241 10.083977 10.106862 10.154476 10.193853 10.221299 10.232566 10.279105 10.316052 10.337762 10.381809 10.415396 10.474856 10.498669 10.567570 10.590761 10.613393 10.623370 10.649977 10.732015 10.810176 10.817978 10.843343 10.877744 10.891906 10.925330 10.950336 11.050832 11.066618 11.104453 11.144007 11.199170 11.238122 11.294792 11.336381 11.389773 11.407722 11.421791 11.435318 11.553408 11.616386 11.651166 11.689939 11.760073 11.773925 11.826912 11.886395 11.941713 11.966202 11.992611 12.033412 12.050405 12.073113 12.134975 12.200368 12.223540 12.270826 12.308116 12.353826 12.384098 12.405929 12.494057 12.585133 12.629020 12.686910 12.738067 12.814383 12.864755 12.909474 12.989917 13.036432 13.072131 13.124963 13.230400 13.272380 13.307217 13.342216 13.411009 13.433017 13.513978 13.671924 13.706200 13.823967 13.867806 13.904591 14.007209 14.056021 14.092253 14.149110 14.224141 14.340095 14.385306 14.519204 14.597146 14.635131 14.715839 14.784963 14.795936 14.974786 14.987413 15.042839 15.125666 15.192149 15.235408 15.353459 15.421322 15.572054 15.630450 15.637347 15.736861 15.816936 15.858483 15.925441 15.940685 16.033958 16.199186 16.271720 16.400400 16.448847 16.518478 16.574363 16.595563 16.667884 16.714605 16.778433 16.873006 17.006708 17.131428 17.255091 17.274786 17.320526 17.362577 17.529731 17.545094 17.571701 17.604005 17.617993 17.643195 17.654872 17.704922 17.805680 17.830350 17.888638 17.968134 18.048101 18.060957 18.099414 18.191638 18.260656 18.279586 18.319480 18.361545 18.394742 18.413683 18.453441 18.479297 18.518744 18.612427 18.666177 18.743969 18.772262 18.799358 18.834008 18.874353 18.917609 18.953463 18.965046 19.087634 19.164370 19.236396 19.366323 19.434885 19.456717 19.512917 19.548772 19.584127 19.652495 19.787093 19.812429 19.848465 19.860978 19.885472 19.996711 20.058707 20.071216 20.163622 20.192607 20.230933 20.310436 20.334237 20.382039 20.432547 20.473040 20.555237 20.575877 20.631475 20.693096 20.740789 20.780671 20.795331 20.811824 20.882120 20.895388 20.955193 20.968819 21.053183 21.099664 21.135143 21.206445 21.243403 21.285734 21.347615 21.429600 21.467727 21.575284 21.616245 21.624884 21.692611 21.750101 21.852952 21.921328 21.928769 21.971443 22.078511 22.126344 22.153316 22.178062 22.282699 22.335688 22.446307 22.529997 22.550214 22.621905 22.646879 22.739131 22.775538 22.795534 22.855527 22.953630 23.028645 23.045297 23.118813 23.158110 23.217039 23.254628 23.308978 23.328148 23.374461 23.445782 23.531938 23.617695 23.625405 23.698489 23.818875 23.844650 23.931025 23.958294 24.100563 24.106633 24.175626 24.178613 24.217634 24.263698 24.347964 24.489156 24.502477 24.515062 24.531020 24.668729 24.741785 24.930640 24.963369 24.996421 25.067784 25.114604 25.149457 25.234598 25.304951 25.391067 25.416352 25.502810 25.566047 25.600343 25.795031 25.841261 25.897518 25.960581 26.079131 26.090819 26.152637 26.240153 26.272078 26.399796 26.432854 26.494082 26.592509 26.632812 26.688135 26.727535 26.795885 26.841932 26.847047 26.893279 26.940762 26.974641 27.018580 27.039869 27.058972 27.077788 27.136269 27.220676 27.285279 27.325862 27.395825 27.427462 27.441295 27.462432 27.501294 27.557595 27.633359 27.685355 27.738308 27.764316 27.864138 27.951555 28.049480 28.159847 28.210469 28.309730 28.353454 28.459700 28.499463 28.513377 28.556925 28.579110 28.610531 28.626091 28.643221 28.709247 28.771060 28.833051 28.883515 28.904019 28.948365 28.987648 29.023097 29.063132 29.072679 29.119225 29.205996 29.237012 29.286462 29.329575 29.333691 29.366692 29.412709 29.466424 29.481557 29.509183 29.609130 29.657332 29.716361 29.737842 29.744246 29.812072 29.849732 29.906636 29.963677 29.993236 30.032941 30.044112 30.078518 30.110622 30.131437 30.143402 30.215707 30.360835 30.402735 30.480954 30.509783 30.519720 30.550517 30.642429 30.685886 30.727707 30.796977 30.835246 30.887037 30.934905 30.969845 31.025378 31.040436 31.082447 31.096560 31.179490 31.258809 31.302785 31.349453 31.378442 31.402887 31.420726 31.472394 31.546080 31.573706 31.604344 31.761186 31.786657 31.804890 31.827928 31.862925 31.885613 31.913620 32.010175 32.030776 32.093473 32.153894 32.214608 32.230415 32.253302 32.284052 32.320441 32.361325 32.415054 32.474876 32.512942 32.590139 32.627365 32.686475 32.695952 32.713047 32.770253 32.867039 32.902926 32.937658 32.964887 32.984111 33.038695 33.081917 33.108865 33.118782 33.148501 33.192761 33.210143 33.271456 33.291745 33.310217 33.319072 33.334933 33.375270 33.402634 33.450953 33.455730 33.480329 33.485120 33.508906 33.556918 33.566196 33.583117 33.640107 33.690330 33.726232 33.756173 33.821874 33.886876 33.920406 33.938842 33.963499 33.984331 33.997556 34.051364 34.085152 34.088024 34.099371 34.146908 34.178557 34.220838 34.245269 34.282474 34.332955 34.378719 34.400241 34.408076 34.440545 34.499082 34.543066 34.558122 34.564146 34.581242 34.625000 34.651091 34.672302 34.729195 34.750083 34.774103 34.819408 34.846562 34.891807 34.950218 34.957213 34.993215 35.018189 35.038403 35.069747 35.085048 35.119189 35.141058 35.152428 35.186294 35.209503 35.278776 35.289479 35.334422 35.368962 35.422267 35.471028 35.501162 35.537369 35.546816 35.623762 35.631632 35.681097 35.703430 35.736882 35.796090 35.813226 35.838819 35.845489 35.878968 35.901420 35.938453 35.988849 36.019933 36.080348 36.114898 36.129657 36.201792 36.315613 36.366186 36.378864 36.425511 36.438959 36.467082 36.499912 36.534558 36.579395 36.605117 36.632029 36.669477 36.760372 36.796215 36.811160 36.879611 36.911227 36.920805 36.941900 36.997978 37.044684 37.088522 37.128262 37.133438 37.167257 37.212796 37.257640 37.284410 37.309025 37.345113 37.352137 37.419104 37.440520 37.467161 37.499076 37.557328 37.596558 37.621418 37.668215 37.712524 37.734493 37.756666 37.829292 37.881434 37.908961 37.950053 37.988973 38.027906 38.098699 38.181969 38.214604 38.219349 38.263895 38.308352 38.338080 38.360484 38.415715 38.432363 38.489526 38.532895 38.609813 38.623976 38.648480 38.677235 38.735280 38.777085 38.844020 38.877940 38.985099 39.131688 39.228179 39.266038 39.302724 39.342426 39.379663 39.473942 39.529226 39.607967 39.627891 39.742990 39.858063 39.908516 39.929556 40.023889 40.064215 40.151282 40.268073 40.290897 40.313636 40.382623 40.403044 40.453021 40.476152 40.515775 40.535625 40.557946 40.626209 40.655620 40.711124 40.736754 40.875078 40.906875 40.918088 41.029008 41.052073 41.078932 41.104951 41.165188 41.262773 41.296581 41.325688 41.361848 41.450584 41.537929 41.586474 41.650828 41.683884 41.737611 41.762451 41.835882 41.891247 41.941688 41.969521 41.998173 42.017417 42.100597 42.123712 42.183255 42.298266 42.348742 42.438751 42.522696 42.630995 42.662605 42.745043 42.773245 42.825522 42.905827 43.014560 43.061186 43.133778 43.171942 43.208587 43.256361 43.294981 43.364868 43.452131 43.468319 43.551620 43.622412 43.716193 43.814290 43.832159 43.901358 43.957400 43.981343 44.069841 44.082793 44.146726 44.197887 44.245498 44.305753 44.369467 44.448259 44.497227 44.594885 44.686732 44.793355 44.820136 44.914595 44.946245 45.008124 45.074978 45.115594 45.184728 45.266766 45.315241 45.342291 45.350879 45.431037 45.463246 45.566847 45.635427 45.689308 45.700923 45.844988 45.918146 45.966256 46.029207 46.084253 46.160261 46.272311 46.328393 46.452052 46.543335 46.552334 46.703394 46.767277 46.822318 46.944653 47.016635 47.115148 47.149410 47.226450 47.327417 47.380277 47.454237 47.612706 47.709173 47.721195 47.933750 47.992029 48.109257 48.143343 48.310984 48.399629 48.495005 48.525800 48.656072 48.750735 49.069051 49.081103 49.150784 49.176999 49.232106 49.359637 49.413127 49.525005 49.651789 49.681451 49.882349 50.122326 50.216200 50.343698 50.350196 50.463060 50.525530 50.568972 50.663495 50.804162 50.862836 50.984719 51.071124 51.129061 51.162931 51.340496 51.382588 51.465890 51.510459 51.613266 51.629151 51.722312 51.872270 51.895361 51.965152 52.093421 52.243560 52.281356 52.315109 52.342165 52.436122 52.467309 52.636449 52.697811 52.729875 52.753030 52.806882 52.846776 52.893796 52.916393 53.002468 53.037239 53.120913 53.133217 53.247090 53.299075 53.371070 53.498090 53.537207 53.620691 53.647584 53.701624 53.793089 53.875678 54.010682 54.019456 54.180110 54.337385 54.382434 54.417652 54.449452 54.573411 54.610974 54.659057 54.694512 54.727890 54.811772 54.858141 54.902196 55.023558 55.160092 55.299062 55.412869 55.454111 55.477546 55.591324 55.711131 55.820825 55.849394 55.935071 56.038181 56.176834 56.205405 56.277247 56.380147 56.481431 56.499135 56.564034 56.664745 56.719272 56.798369 56.878480 56.978960 57.103067 57.157620 57.277508 57.304870 57.405622 57.440157 57.448202 57.587687 57.692025 57.764567 57.806398 57.940134 57.954308 58.037990 58.084253 58.239114 58.272068 58.374827 58.441024 58.607838 58.655561 58.752311 58.785978 58.882470 59.045199 59.072200 59.077318 59.174188 59.272488 59.279130 59.334484 59.422330 59.449825 59.498764 59.527562 59.638460 59.681714 59.742816 59.866480 59.926444 59.979510 60.100733 60.177479 60.195652 60.220686 60.363419 60.412528 60.528303 60.643838 60.828154 60.925609 60.984322 61.160955 61.263441 61.312461 61.341098 61.413954 61.526410 61.611471 61.719524 61.766869 61.927366 61.962641 62.033323 62.188210 62.349916 62.520767 63.162151 63.535824 63.651079 63.722542 63.739195 63.794851 63.874648 63.948813 64.083800 64.270234 64.672868 65.019287 65.053473 65.101042 65.219730 65.284631 65.446472 65.467049 65.720016 65.904055 66.025323 66.110899 66.430909 66.555422 66.818565 66.871789 66.955597 67.045290 67.148152 67.233333 67.242472 67.291646 67.343953 67.460937 67.472042 67.607388 67.708979 67.793747 67.885290 67.910976 68.176458 68.229294 68.303378 68.398927 68.439882 68.815042 68.819338 68.902666 69.013662 69.188834 69.411207 69.727702 70.039639 70.316811 70.491812 70.771728 70.951558 71.032773 71.133745 71.263685 71.518470 71.765816 71.963715 72.104397 72.152066 72.257263 72.336400 72.542316 74.263726 74.502421 74.546383 74.578524 74.687134 74.723089 75.512003 75.586507 75.783863 76.112771 76.465156 76.585687 76.931636 77.491366 77.567109 77.634018 77.870255 78.378865 78.744659 78.943560 79.227200 79.438471 79.560959 79.597923 79.844279 79.931337 80.601883 80.657937 81.354974 81.648285 82.346239 82.525842 83.031521 83.283056 83.787085 83.897426 84.583860 84.689988 84.823459 84.932527 85.029559 85.114291 85.143866 85.196372 85.394481 85.440764 85.445054 85.460118 86.223152 86.284376 86.335525 86.663552 87.519667 87.602649 87.650959 87.722930 90.311883 90.741760 91.096786 91.339222 92.163735 92.438316 92.507842 92.552268 94.438120 94.548433 103.784035 103.861851 104.190969 104.274000 104.363507 104.486182 104.616906 104.852178 105.131936 105.193580 105.387845 105.500874 105.718010 105.965372 105.976942 106.327364 107.258502 107.527504 107.611201 107.729785 119.944673 120.175132 122.356764 122.479987 122.634608 122.743843 122.888548 123.116354 123.714847 123.767846 124.073385 124.387347 124.640676 124.747009 124.858800 124.897458 125.058211 125.178326 125.554903 125.677975 125.766987 126.236957 126.359093 126.374362 126.486012 126.573714 126.770965 127.092492 127.369578 127.427643 127.585763 127.706825 127.811037 128.026935 128.178308 128.205222 128.221008 128.336109 128.345266 128.444297 128.517426 128.617131 128.838266 128.921194 129.219333 129.481717 129.527222 129.622007 129.953817 130.176510 130.314262 130.491597 130.606976 130.837283 130.863753 130.982390 131.072595 131.178228 131.211508 131.311154 131.433155 131.521712 131.625135 131.811023 131.883097 132.030087 132.054244 132.318963 132.366551 132.379946 132.435242 132.545793 132.603309 132.669473 132.760567 132.867131 132.959048 133.087636 133.137036 133.260884 133.361733 133.440510 133.787577 134.088716 134.148714 134.156484 134.489698 134.550713 134.694426 134.804351 134.987100 135.387886 135.408497 135.468095 135.600183 135.621791 135.752149 136.079410 136.127588 136.324311 136.421773 136.468893 136.622334 136.960693 137.318091 137.390020 137.665590 137.729073 137.852993 138.127079 138.155187 138.289427 138.386935 138.610798 138.828957 139.173814 139.334195 139.415573 139.760111 140.393957 140.418641 140.470293 140.655757 140.862592 140.938385 140.983593 141.404870 141.492408 141.646663 141.702861 141.767497 141.909286 142.083085 142.258471 142.329788 142.421770 142.719248 142.900805 143.125805 143.356517 143.490727 143.733437 143.994486 144.083019 144.344656 144.755380 144.822835 144.963888 145.014407 145.086253 145.572694 145.654421 145.769764 146.057152 146.626380 146.835784 146.970710 147.091438 147.319125 147.634627 147.820072 147.967093 148.089012 148.205908 148.357167 148.572571 148.615040 148.796255 148.856965 149.039273 149.136341 149.211180 149.291908 149.410456 149.597875 149.855819 150.369878 150.822945 150.837177 151.113039 151.601737 151.635782 152.223193 152.306784 152.531472 152.682627 152.817616 152.944975 153.243095 153.351040 153.573678 153.883003 153.976325 154.080873 154.216070 154.299702 154.496052 154.652569 154.948256 154.982144 155.258110 155.323875 155.439436 155.467246 155.905204 156.183769 156.200914 156.312734 156.392487 156.562149 156.663949 156.925564 157.072250 157.190160 157.381414 157.506011 157.606749 157.750638 158.714172 158.869930 158.948156 159.022826 159.227358 159.396844 159.573073 159.642114 159.874216 159.944531 161.114777 161.551784 162.191619 162.284474 163.123055 163.221827 163.403980 164.011254 164.767605 165.595739 165.940505 166.082290 166.234721 166.491497 166.580320 167.120102 167.314924 167.735870 167.805985 167.842561 168.578949 169.007153 169.342654 169.419490 169.590304 169.747806 169.937943 170.247308 170.469271 170.547648 170.592127 171.475559 171.847152 171.941648 172.310556 172.660717 172.713157 172.994578 173.257752 173.380762 173.720804 174.227015 174.257587 174.373512 175.128512 175.579250 175.667355 175.904962 176.413467 176.538462 177.405494 177.836914 177.959009 178.754906 178.789658 179.722125 180.379640 180.729665 181.390569 182.066080 183.089708 183.339553 183.837831 184.986456 185.178719 185.988742 186.165375 189.196940 190.176064 924.811788 925.024754 925.722994 925.993509 927.254246 928.156465 928.317266 929.011482 930.752788 931.263520 931.520611 932.374980 933.085756 934.065081 934.441231 934.934838 935.759980 935.850964 936.444531 936.556288 936.814147 937.102998 937.724252 938.606201 938.835397 939.072458 939.427560 939.870184 939.956899 940.048642 940.203823 940.519497 940.687315 940.963756 942.314579 942.614717 942.922593 943.308989 944.183089 944.810113 945.525871 945.637511 946.625756 947.220855 947.833916 948.276513 948.928634 949.694410 950.322659 950.551504 952.019445 952.878901 953.058584 953.577239 953.859518 954.507102 955.295829 955.738054 955.888058 957.260070 958.832960 959.018363 959.670675 969.196846 969.958551 970.247738 970.874655 973.843837 974.421062 975.300243 976.717123 978.642708 979.717331 983.071051 983.917798 984.851626 985.174887 985.307987 985.784967 55225.103701 55230.658831 105115.208877 105118.235262 105134.449118 105138.973404 105146.587808 105148.112420 105151.075136 105152.524007 105159.756347 105160.161810 105160.356562 105161.586185 105166.721923 105167.959812 105169.020147 105170.183054 105170.889704 105172.332660 105178.930551 105180.012835</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="4406">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A</array>
                     <array dataType="xsd:string" dictRef="cc:spin" size="4406">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-33.85914711</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-921.354762</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-10</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000119109</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00114596586634</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00035167551597</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="109">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="109">W W W W W O O Tc H Tc O P O O O O O O O O O O O O O O O O O O O O O O O W O W W O W W O W O W O O W W Cs W O O Tc O O P O O O O O O O O O O O O O W W W W W O O O O O O Cs O O Tc O O O O O O O O O O O O O O O O O O O O O O H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="109">2.3995 2.3684 2.4655 2.3540 2.3919 -0.8026 -0.9615 1.8098 0.2855 1.9797 -0.7967 2.4596 -0.9547 -0.9648 -0.9750 -0.9718 -0.9615 -0.9771 -0.8272 -0.9555 -0.9647 -0.9520 -1.0140 -0.9375 -0.9628 -0.9860 -0.9796 -1.0038 -0.9583 -0.8042 -0.9528 -0.8017 -0.9606 -1.0208 -0.7918 2.4077 -0.8043 2.3752 2.3879 -1.0201 2.4504 2.3916 -0.9965 2.4067 -0.9515 2.3742 -0.9644 -0.9561 2.3869 2.4523 0.8832 2.3962 -0.8301 -0.7978 1.9618 -0.9539 -0.9433 2.4618 -0.9515 -0.9626 -0.9746 -0.9694 -0.9633 -0.9560 -0.9949 -0.7964 -0.8197 -0.9603 -0.9537 -0.9663 -0.9433 2.4001 2.3690 2.4637 2.3569 2.3926 -0.9817 -1.0091 -0.8221 -0.9907 -0.9552 -0.9758 0.8865 -1.0222 -0.7871 1.9787 -0.7951 -0.8027 -1.0211 -0.9639 -0.9509 -0.9514 -0.8022 -0.7919 -0.8209 -0.7966 -0.7871 -0.9527 -0.9736 -0.9526 -0.9629 -0.7948 -1.0128 -0.9366 -0.9520 -0.9596 -0.8329 -0.9543 0.2837</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">0.0380 0.0177 0.0239 0.0220 0.0212 0.0121 0.0058 -1.8346 0.0077 2.1275 0.0085 0.0031 0.0035 0.0371 0.0066 0.0105 0.0058 0.0317 0.0143 -0.0006 -0.0009 0.0048 0.0751 -0.0444 0.0113 0.0002 -0.0114 0.0075 0.0642 -0.0259 -0.0393 -0.0175 0.0816 -0.0002 -0.0025 -0.0111 0.0086 -0.0022 0.0236 -0.0003 -0.0125 0.0208 0.0253 -0.0112 0.0046 -0.0085 -0.0010 -0.0001 0.0241 -0.0033 0.0005 0.0209 0.0107 -0.0004 2.3187 0.0036 0.0238 0.0053 -0.0014 0.0339 0.0006 0.0009 0.0011 0.0335 0.0054 0.0213 -0.0012 0.0045 0.0011 0.0781 0.0018 0.0369 0.0148 0.0196 0.0247 0.0261 0.0053 -0.0087 0.0619 0.0011 0.0850 0.0053 0.0005 0.0002 0.0008 0.3492 0.0121 -0.0281 0.0002 0.0979 0.0728 -0.0482 -0.0154 -0.0025 0.0069 0.0117 0.0008 -0.0016 -0.0007 0.0047 0.0013 0.0238 0.0597 -0.0356 0.0045 0.0047 -0.0693 0.0006 -0.0066</array>
                        <array dataType="xsd:string" dictRef="a:spin" size="218">A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B A B</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="218">1.0570 1.0557 1.0621 1.0608 1.0540 1.0533 1.0634 1.0623 1.0558 1.0557 0.9835 0.9833 0.9716 0.9716 0.1259 0.1572 0.3055 0.2987 0.1682 0.1278 0.9839 0.9838 0.2596 0.2583 0.9659 0.9660 0.9714 0.9708 0.9707 0.9706 0.9697 0.9695 0.9716 0.9716 0.9676 0.9672 0.9847 0.9845 0.9660 0.9662 0.9708 0.9710 0.9666 0.9667 0.9717 0.9718 0.9717 0.9709 0.9667 0.9663 0.9466 0.9456 0.9870 0.9798 0.9458 0.9452 0.9746 0.9751 0.9825 0.9828 0.9692 0.9684 0.9826 0.9829 0.9750 0.9754 0.9470 0.9470 0.9836 0.9837 1.0554 1.0558 0.9833 0.9832 1.0578 1.0581 1.0602 1.0603 0.9470 0.9470 1.0541 1.0548 1.0590 1.0586 0.9718 0.9712 1.0554 1.0558 0.9667 0.9667 1.0576 1.0579 0.9707 0.9710 0.9659 0.9662 1.0598 1.0597 1.0540 1.0545 1.0265 1.0265 1.0586 1.0583 0.9846 0.9845 0.9838 0.9838 0.1636 0.1239 0.9660 0.9661 0.9749 0.9749 0.2582 0.2570 0.9663 0.9664 0.9709 0.9704 0.9706 0.9707 0.9707 0.9705 0.9708 0.9707 0.9664 0.9659 0.9716 0.9712 0.9832 0.9830 0.9851 0.9851 0.9723 0.9721 0.9664 0.9663 0.9683 0.9693 0.9747 0.9746 1.0569 1.0556 1.0615 1.0605 1.0543 1.0536 1.0638 1.0623 1.0560 1.0558 0.9679 0.9677 0.9450 0.9454 0.9449 0.9429 0.9469 0.9466 0.9709 0.9716 0.9705 0.9705 1.0257 1.0257 0.9470 0.9470 0.9841 0.9841 0.1385 0.1333 0.9832 0.9830 0.9826 0.9830 0.9470 0.9470 0.9684 0.9691 0.9714 0.9723 0.9688 0.9680 0.9825 0.9827 0.9837 0.9838 0.9852 0.9851 0.9831 0.9829 0.9840 0.9840 0.9662 0.9662 0.9706 0.9707 0.9668 0.9666 0.9708 0.9707 0.9835 0.9832 0.9713 0.9717 0.9719 0.9709 0.9669 0.9667 0.9723 0.9722 0.9417 0.9441 0.9663 0.9663 0.2996 0.3050</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="218">3.0632 3.0615 3.0658 3.0649 3.0669 3.0640 3.0691 3.0690 3.0679 3.0659 2.4071 2.3951 2.4965 2.4910 -0.1008 -0.0920 0.0556 0.0547 -0.1245 -0.1310 2.4018 2.3933 0.6008 0.5996 2.4997 2.4962 2.5146 2.4779 2.5062 2.4998 2.5068 2.4964 2.4966 2.4910 2.5222 2.4910 2.4192 2.4049 2.4964 2.4972 2.4951 2.4964 2.4971 2.4927 2.5563 2.4861 2.4595 2.5029 2.5056 2.4948 2.5271 2.5288 2.4765 2.5036 2.5414 2.5338 2.5200 2.4590 2.3899 2.4156 2.4725 2.5097 2.3926 2.4100 2.5293 2.4516 2.5436 2.5438 2.3940 2.3965 3.0614 3.0617 2.4064 2.3979 3.0679 3.0683 3.0671 3.0640 2.5432 2.5435 3.0675 3.0683 3.0657 3.0643 2.5223 2.4986 3.0615 3.0618 2.4968 2.4925 3.0678 3.0684 2.4950 2.4963 2.4970 2.4974 3.0667 3.0643 3.0675 3.0675 2.9851 2.9853 3.0650 3.0636 2.4190 2.4083 2.3980 2.3984 -0.1078 -0.1121 2.4991 2.4956 2.4915 2.4686 0.6013 0.5976 2.4952 2.4965 2.5123 2.4789 2.5030 2.5024 2.4995 2.4987 2.4962 2.4952 2.5139 2.4809 2.5122 2.5069 2.4088 2.3876 2.4071 2.4084 2.4944 2.4898 2.4965 2.4956 2.5374 2.4636 2.4811 2.4795 3.0631 3.0615 3.0660 3.0649 3.0669 3.0645 3.0688 3.0688 3.0681 3.0658 2.5109 2.5058 2.5357 2.5449 2.4809 2.4245 2.5299 2.5295 2.5330 2.4512 2.5061 2.5010 2.9849 2.9851 2.5445 2.5443 2.3927 2.3919 -0.1452 -0.1485 2.4036 2.3915 2.3878 2.4158 2.5439 2.5437 2.5462 2.4531 2.5242 2.4542 2.4680 2.5138 2.3940 2.4093 2.3940 2.3964 2.4116 2.4047 2.4042 2.3926 2.3928 2.3920 2.4959 2.4974 2.5019 2.5025 2.4971 2.4923 2.4961 2.4949 2.4090 2.3853 2.5485 2.4927 2.4632 2.4981 2.4965 2.4920 2.4941 2.4894 2.4275 2.4901 2.4967 2.4962 0.0552 0.0564</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="218">1.6970 1.6620 1.6947 1.6791 1.6562 1.6360 1.6996 1.6787 1.6888 1.6698 0.0167 0.0168 0.0155 0.0152 1.6526 3.4471 0.0000 0.0000 3.5302 1.4496 0.0169 0.0170 0.4113 0.4108 0.0135 0.0134 0.0150 0.0151 0.0139 0.0138 0.0147 0.0147 0.0155 0.0152 0.0145 0.0145 0.0168 0.0169 0.0151 0.0146 0.0160 0.0154 0.0146 0.0143 0.0165 0.0116 0.0153 0.0171 0.0147 0.0146 0.0194 0.0185 0.0206 0.0121 0.0185 0.0192 0.0166 0.0129 0.0168 0.0166 0.0150 0.0180 0.0169 0.0168 0.0168 0.0125 0.0197 0.0197 0.0171 0.0170 1.6718 1.6821 0.0167 0.0167 1.6836 1.6850 1.6885 1.6679 0.0197 0.0197 1.6449 1.6560 1.6878 1.6689 0.0168 0.0159 1.6721 1.6826 0.0146 0.0143 1.6812 1.6888 0.0160 0.0154 0.0151 0.0146 1.6900 1.6685 1.6486 1.6515 0.0420 0.0413 1.6867 1.6675 0.0168 0.0169 0.0169 0.0169 3.6226 1.3480 0.0135 0.0135 0.0172 0.0162 0.4123 0.4118 0.0136 0.0136 0.0150 0.0151 0.0139 0.0139 0.0150 0.0150 0.0153 0.0152 0.0144 0.0144 0.0163 0.0166 0.0168 0.0169 0.0170 0.0170 0.0158 0.0159 0.0145 0.0143 0.0164 0.0112 0.0168 0.0166 1.6962 1.6623 1.6933 1.6806 1.6547 1.6382 1.6993 1.6760 1.6905 1.6670 0.0147 0.0148 0.0195 0.0186 0.0162 0.0126 0.0191 0.0187 0.0162 0.0123 0.0139 0.0138 0.0414 0.0407 0.0197 0.0197 0.0171 0.0171 2.6919 2.3513 0.0169 0.0170 0.0169 0.0167 0.0197 0.0197 0.0163 0.0108 0.0163 0.0125 0.0148 0.0180 0.0169 0.0168 0.0170 0.0170 0.0171 0.0171 0.0169 0.0169 0.0171 0.0171 0.0135 0.0135 0.0139 0.0140 0.0148 0.0150 0.0152 0.0152 0.0168 0.0170 0.0164 0.0121 0.0154 0.0171 0.0148 0.0150 0.0157 0.0159 0.0125 0.0169 0.0145 0.0144 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="218">0.0021 0.0021 0.0020 0.0020 0.0021 0.0021 0.0020 0.0020 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 0.0021 0.0000 0.0000 0.0021 0.0020 0.0021 0.0020 0.0000 0.0000 0.0020 0.0021 0.0021 0.0021 0.0000 0.0000 0.0021 0.0021 0.0000 0.0000 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0021 0.0020 0.0021 0.0020 0.0051 0.0050 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 0.0021 0.0020 0.0021 0.0021 0.0021 0.0020 0.0020 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0050 0.0050 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="sfo.population">
                  <module cmlx:templateRef="molecular.orbitals">
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">104</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.83 8.24 6.87 6.83 6.54 6.03 5.62 5.33 5.16 5.08 4.12 3.25 2.22 2.13 2.13 1.84 1.54 1.41 1.31 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">25 29 36 44 51 31 52 34 27 32 40 94 101 83 38 50 33 37 42 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">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">-22.765</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">105</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">11.07 10.87 10.77 10.38 10.20 10.18 8.75 7.88 2.09 2.02 1.39 1.27 1.26 1.26 1.22 1.12 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">S S S S S S S S S S D:x2-y2 S S D:z2 D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">96 61 99 92 91 67 66 97 74 82 6 68 81 11 11 89 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O 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">-22.740</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">106</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.89 9.40 9.11 6.70 5.87 5.12 4.83 4.75 4.17 4.16 3.88 3.28 2.83 2.74 1.78 1.74 1.62 1.48 1.40 1.25 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S S S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">42 55 95 44 26 34 22 38 50 83 33 35 51 28 29 27 101 25 20 40 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">107</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">12.53 11.43 8.36 7.84 7.05 6.18 5.90 5.31 5.28 4.36 3.36 2.98 1.47 1.18 1.12 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">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">24 32 75 35 83 40 52 94 51 55 26 31 95 42 44 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.681</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">108</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.97 10.43 10.30 10.26 9.82 8.31 7.94 6.39 2.98 2.27 2.24 2.10 1.53 1.46 1.31 1.19 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S D:x2-y2 S D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">28 50 33 22 31 52 51 32 40 24 44 94 55 34 16 75 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">109</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="7">69.77 1.77 1.56 1.43 1.16 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="7">1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="7">S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">38 74 68 82 81 70 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.637</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">11.10 9.69 9.65 9.57 8.11 8.02 5.24 3.64 3.58 3.49 2.98 2.63 1.81 1.63 1.33 1.13 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 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">49 89 59 90 63 57 56 82 81 69 74 68 66 99 14 67 77 92 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.558</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">111</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">13.86 12.50 9.30 8.63 8.17 7.22 4.85 4.66 3.87 3.48 3.46 2.31 1.70 1.60 1.48 1.28 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">63 49 38 58 74 82 68 70 66 81 97 67 57 89 99 10 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.526</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">112</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">11.81 10.75 9.34 8.46 6.98 5.70 5.59 5.23 4.11 3.31 3.04 2.96 1.58 1.36 1.32 1.27 1.26 1.19 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">26 75 55 24 34 94 42 83 44 40 35 95 52 46 85 32 31 30 53 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">113</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">13.31 12.32 11.10 7.68 6.07 5.33 5.11 4.47 3.82 2.98 2.82 2.79 1.85 1.77 1.55 1.53 1.45 1.29 1.28 1.26 1.23 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S S S S S S S S S S S S D:yz S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">56 69 62 81 68 91 96 57 90 59 89 60 63 97 49 92 38 70 58 8 61 12 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.439</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">114</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">13.38 12.35 9.79 8.53 8.13 7.03 5.94 4.15 3.82 3.20 3.18 3.05 2.16 2.00 1.81 1.53 1.28 1.25 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">S S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020 -5.054 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">42 83 44 40 25 34 94 95 51 32 38 35 101 36 29 50 100 20 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O Tc O O O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.434</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">115</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">8.57 8.45 8.18 7.98 7.73 6.66 6.60 6.09 5.07 5.00 3.85 3.79 3.63 3.34 3.28 2.83</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">68 96 91 81 63 92 49 61 99 67 93 86 64 66 65 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">116</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">10.62 7.82 7.80 7.09 6.68 6.12 5.82 5.10 4.56 4.33 3.92 3.31 2.71 2.40 2.34 2.33 1.86 1.72 1.19 1.07 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">S S S S S S S S S S S S S S S S S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">29 34 94 35 24 95 55 75 31 52 26 25 83 36 51 32 27 42 18 22 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.65 14.87 7.72 7.45 7.26 5.92 5.83 5.41 3.53 3.39 3.26 2.66 1.99 1.94 1.93 1.64</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">56 69 74 97 82 66 63 49 81 87 67 78 99 54 68 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.374</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">118</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">17.98 17.18 12.29 10.89 6.56 5.92 3.68 3.24 2.46 2.28 2.18 1.53 1.19 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">77 88 70 58 60 62 86 69 65 68 99 66 81 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">119</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">11.23 8.36 6.61 6.53 6.36 4.60 4.34 4.21 4.20 3.62 3.42 2.63 2.40 2.39 2.11 1.93 1.71 1.71 1.65 1.62 1.42 1.34 1.26 1.20 1.16 1.09 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">S S S S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">74 68 61 60 82 81 69 56 67 63 86 88 49 93 77 54 78 87 65 64 92 96 97 99 59 23 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">120</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.48 8.22 7.69 7.55 7.15 7.06 5.63 5.61 5.48 5.21 4.91 4.50 2.63 2.62 2.28 2.25 1.52 1.40 1.40 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">22 28 31 33 50 52 51 42 30 32 83 53 34 94 79 41 84 21 43 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">121</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">14.17 11.54 10.02 8.92 7.50 6.03 5.85 5.50 4.77 4.76 3.13 2.62 1.81 1.31 1.23 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">92 99 61 82 67 91 66 81 97 96 74 68 65 86 23 10</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">122</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">44.31 41.79 2.13 1.84 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">77 88 6 11 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.290</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">123</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">25.32 25.22 10.01 6.63 5.82 4.74 2.76 2.04 1.94 1.64 1.13 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">85 46 27 36 25 29 83 44 22 35 28 53 84</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">-22.275</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">124</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.69 10.36 9.58 9.50 8.24 7.44 5.77 3.39 3.29 3.19 3.00 2.95 2.74 2.09 1.76 1.47 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">95 35 42 83 40 44 94 34 51 43 32 84 21 47 30 53 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.268</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">125</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">22.70 18.22 17.76 4.02 3.82 2.72 2.32 2.28 2.02 1.78 1.74 1.67 1.48 1.45 1.42 1.16 1.15 1.15 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">S S S S S S S S S S S S S S D:yz D:yz D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">88 86 77 58 60 65 70 62 66 49 23 92 74 61 11 6 14 54 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.248</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">126</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">13.01 10.88 10.30 8.59 7.48 6.32 5.57 4.63 3.37 2.38 2.01 1.94 1.74 1.72 1.71 1.52 1.46 1.39 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">50 22 44 94 32 30 31 35 42 84 36 79 53 51 27 33 95 47 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">127</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">23.30 7.92 7.32 6.41 4.18 4.03 3.97 2.55 2.41 2.37 2.08 2.00 1.94 1.58 1.44 1.40 1.24 1.23 1.17 1.12 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S D:z2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">86 28 33 40 34 52 51 77 53 95 65 67 70 22 43 14 32 83 50 97 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">128</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">31.22 6.06 5.60 5.34 4.06 3.50 2.62 2.57 2.57 2.14 2.12 1.88 1.86 1.60 1.60 1.27 1.16 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S D:z2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">86 40 28 33 34 65 52 51 77 67 53 70 14 95 43 97 35 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">129</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">43.53 42.15 2.04 1.99 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S D:yz D:yz D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 0.80 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">85 46 1 16 1 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.221</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">130</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">66.59 4.22 2.92 2.67 2.60 2.14 1.46 1.45 1.45 1.29 1.27 1.22 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S D:yz S S D:x2-y2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">65 78 9 70 99 9 63 86 56 60 92 97 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O W O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.205</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">131</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">37.18 10.89 4.61 4.39 3.62 3.45 3.06 3.01 2.70 2.70 2.48 2.18 2.17 2.12 2.02 1.59 1.57 1.47 1.18 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">S S S S S S S S S S S S S S S S D:x2-y2 S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">78 87 67 99 49 92 63 68 61 66 91 96 97 56 81 69 15 64 93 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">132</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">37.27 25.08 8.41 3.15 2.64 2.05 1.79 1.70 1.62 1.56 1.48 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S D:xy D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">93 78 87 65 58 74 61 70 8 15 62 92 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">133</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">15.99 15.48 9.86 7.83 6.13 5.80 3.56 3.19 2.83 2.37 2.35 1.80 1.79 1.59 1.45 1.41 1.34 1.34 1.32 1.29 1.22 1.08 1.08 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">S S S S S S S S S S S S S S S S D:yz S S D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">46 85 36 25 30 27 29 50 33 28 21 79 35 53 41 47 16 95 34 1 22 32 51 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">134</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">52.76 11.11 11.04 3.62 3.52 3.30 1.45 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S D:z2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">87 64 93 10 23 82 92 58 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-22.171</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">135</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">26.43 12.30 11.51 9.88 8.70 7.21 3.76 3.68 2.34 1.46 1.32 1.15 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S D:xy D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">93 78 23 64 54 81 74 63 69 8 15 57 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.168</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">136</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.16 10.92 9.83 7.94 6.89 6.37 5.14 4.82 2.94 2.92 2.49 2.23 2.02 1.67 1.64 1.50 1.46 1.25 1.09 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">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">62 23 58 70 60 64 56 30 99 67 92 49 61 69 82 93 63 96 54 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.165</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">137</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">58.16 3.95 3.44 3.14 2.78 2.59 2.47 2.33 2.20 1.80 1.41 1.24 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S D:x2-y2 S S S S S S S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">30 29 22 3 34 64 27 23 31 85 84 43 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O W O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.161</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">138</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">35.98 23.77 5.94 4.19 2.38 2.05 2.04 1.97 1.83 1.60 1.37 1.26 1.22 1.19 1.14 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S D:x2-y2 S S D:xz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">64 23 54 68 69 60 62 58 87 49 61 13 92 70 7 13 89 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O 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">-22.152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">139</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">70.78 3.51 3.49 2.67 2.48 1.79 1.68 1.20 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S D:xy S S S S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">53 28 18 94 52 29 22 18 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">140</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">29.18 17.13 10.44 4.58 4.47 3.13 3.04 2.99 2.81 2.42 1.70 1.70 1.60 1.33 1.21 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S D:xz S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">23 54 64 62 87 60 68 56 82 61 7 92 49 63 81 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">141</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">49.27 7.18 5.11 4.82 3.62 3.14 2.89 2.88 2.79 2.21 1.99 1.78 1.71 1.56</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S D:xy S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">54 69 64 74 56 81 63 12 93 82 68 49 78 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.107</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">142</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">33.47 17.67 6.25 3.76 3.39 3.29 2.95 2.76 2.67 2.55 2.19 2.14 1.87 1.86 1.46 1.39 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">43 84 21 94 42 34 83 31 28 33 52 50 22 51 2 32 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">143</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">63.83 10.56 5.29 4.49 4.19 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S S S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">21 84 43 47 20 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.086</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">144</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">27.61 24.55 21.88 2.91 2.75 2.28 1.54 1.27 1.16 1.10 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S D:xy S D:x2-y2 D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">43 47 84 29 27 22 2 79 5 17 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">145</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">43.86 16.43 6.82 4.42 3.24 2.89 2.57 2.33 1.80 1.77 1.34 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S D:x2-y2 S S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">47 84 21 43 41 79 27 5 25 29 28 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-22.066</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">146</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">48.05 7.96 6.88 6.83 6.49 1.96 1.90 1.71 1.60 1.51 1.25 1.22 1.19 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S D:x2-y2 S S D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">79 84 95 41 44 83 19 51 34 19 29 21 42 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">147</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.77 8.73 7.92 7.78 7.48 6.51 6.47 5.95 5.30 3.73 3.71 2.96 2.79 2.43 2.06 2.05 1.95 1.92 1.63 1.27 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">S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">29 25 35 36 41 40 27 42 79 50 83 28 95 94 22 34 47 33 44 43 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.045</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">148</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">51.87 16.81 4.82 4.43 2.94 2.63 2.01 1.77 1.53 1.50 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S D:z2 S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">41 79 25 36 33 4 47 43 4 50 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">149</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">19.40 12.98 10.11 9.90 9.62 8.60 8.39 3.40 3.37 2.32 2.28 1.61</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">70 60 58 97 66 99 67 91 96 61 92 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.016</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">150</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">12.38 9.60 9.48 8.58 7.97 6.83 6.60 6.50 6.22 5.27 3.55 2.94 2.80 1.35 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">41 35 83 40 42 44 95 94 79 34 47 43 84 21 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-21.991</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">151</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">14.91 9.39 8.68 8.55 7.68 7.57 4.24 4.21 3.44 3.43 3.23 3.01 2.88 2.82 2.30 2.24 1.57 1.36 1.24 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">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">60 62 91 96 61 92 57 89 59 90 70 58 97 66 99 67 69 82 56 74</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">-21.965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">152</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">16.53 15.01 8.65 8.25 7.07 6.20 5.68 5.31 3.72 2.37 2.02 1.94 1.54 1.49 1.31 1.25 1.14 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">57 89 90 59 60 82 74 70 69 56 67 99 92 61 66 97 58 96</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">-21.949</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">153</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">20.63 13.49 6.92 6.65 6.36 6.33 6.05 5.43 5.36 5.33 5.02 4.82</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">27 36 52 31 25 22 28 32 29 51 33 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">154</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.59 10.56 7.59 6.90 6.86 6.74 6.10 5.99 5.99 5.97 5.81 5.77 1.74 1.55 1.27 1.18 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">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">36 27 25 29 32 51 33 22 52 50 31 28 55 24 95 26 75</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">-21.862</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">155</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">20.34 16.04 10.66 8.75 8.48 5.57 5.22 5.08 5.05 1.50 1.39 1.28 1.27 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">55 24 26 75 95 44 40 36 35 27 34 101 50 94 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-21.837</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">156</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">19.10 18.74 9.21 9.09 8.33 7.40 7.17 6.23 2.44 1.91 1.82 1.68</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">89 57 82 59 74 90 69 56 68 49 81 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.785</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">157</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">21.02 17.99 9.98 9.25 5.95 5.72 5.61 5.14 4.84 3.70 2.44 2.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">90 59 81 68 89 82 57 74 63 49 69 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.731</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">158</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">18.44 17.10 12.43 10.93 5.75 5.46 5.34 5.32 4.84 4.84 2.41 2.37</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">59 90 68 81 82 89 63 49 57 74 69 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">159</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">19.77 16.19 9.44 9.30 8.96 8.48 6.62 5.73 2.86 1.85 1.76 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">24 55 35 75 95 40 44 26 94 83 34 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">160</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">25.61 14.64 11.07 7.55 6.43 5.90 4.60 4.58 4.08 3.69 3.55 2.61</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">26 75 34 42 94 55 24 44 95 40 83 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.619</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">161</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">22.91 13.75 12.87 8.72 7.72 6.18 6.03 5.18 4.39 3.54 2.86 2.84</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">75 26 94 83 34 24 42 40 35 55 95 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.296</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">162</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">12.00 11.91 10.33 9.30 8.20 8.20 4.84 4.83 4.78 4.68 4.39 2.70 1.78 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:y P:x S P:z S P:z S S S S P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">80 73 107 76 107 71 76 80 73 71 71 76 71 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O P O 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">-14.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">163</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">13.09 11.82 10.47 9.30 8.20 7.12 4.87 4.87 4.78 4.71 4.37 2.96 1.42</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y S P:z S P:z S S S S P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">39 48 106 45 106 37 45 48 37 39 37 45 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O P O P O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.386</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">164</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">27.97 23.77 20.30 12.52 12.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:z P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">109 108 109 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">165</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">31.10 26.34 15.04 7.77 5.86 3.73</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:z P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">109 109 108 108 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">166</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">32.23 19.85 16.46 15.71 7.09 5.31</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:z P:y P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 108 109 109 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">167</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">40.03 28.80 13.03 8.73 2.84</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 108 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">168</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">41.32 33.45 16.53 3.14 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">109 109 108 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">169</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">40.21 29.30 10.69 8.92 5.03 2.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:x P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 108 109 108 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">170</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">18.81 11.12 8.33 4.33 4.19 4.13 3.27 3.22 3.05 2.35 2.17 2.16 1.80 1.74 1.43 1.41 1.22 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:x P:z P:z P:x P:z P:y P:x S D:x2-y2 P:y P:y P:x P:y P:x P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -5.485 -9.089 2.224 -9.089 -9.089 -24.020 -6.681 -9.089 -5.485 -9.089 2.224 -5.485 -9.089 2.224 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.00 1.33 0.00 1.33 1.33 2.00 1.00 1.33 1.00 1.33 0.00 1.00 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">71 71 73 80 107 76 107 76 71 71 102 73 107 80 107 107 73 107 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O P O P O O O Tc O P O P P O P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">171</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">19.40 18.78 6.72 4.20 3.09 3.08 2.93 2.89 2.48 2.27 2.12 2.11 2.00 1.73 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:y P:x P:z P:y P:y P:y P:z P:z P:z S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -9.089 -5.485 2.224 -9.089 -9.089 -9.089 2.224 -9.089 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.33 1.00 0.00 1.33 1.33 1.33 0.00 1.33 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">80 76 76 107 80 107 107 73 71 71 107 73 76 80 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P O P P O O O P O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">172</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">21.71 10.01 5.27 4.97 4.78 4.04 3.60 2.35 1.96 1.87 1.49 1.47 1.27 1.25 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:y P:z P:x P:x P:y P:x P:z S P:z P:y P:y D:x2-y2 P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -9.089 -9.089 2.224 -9.089 -24.020 -9.089 -5.485 -9.089 -4.492 -9.089 -9.089 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.33 1.33 0.00 1.33 2.00 1.33 1.00 1.33 0.80 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">73 80 76 107 71 76 107 37 73 80 107 37 12 73 80 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P O O P O O O P O W O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.953</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">173</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">22.15 12.36 9.15 4.63 3.59 3.08 2.64 2.47 1.83 1.78 1.71 1.70 1.62 1.31 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:z P:y P:x P:x P:x P:x P:x P:z S P:z P:y S P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 2.224 -9.089 -9.089 -9.089 -9.089 -24.020 -5.485 -9.089 -24.020 2.224 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.33 2.00 1.00 1.33 2.00 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">39 37 37 106 106 48 45 73 45 39 106 39 37 106 48 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P P O O O O O P O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">174</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.80 18.76 7.92 3.97 3.41 3.19 2.77 2.66 2.57 2.36 2.27 2.12 1.63 1.31 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 2 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:z P:x P:z P:y P:y P:z P:z P:x P:y P:y S S P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -5.485 -9.089 2.224 -9.089 -9.089 2.224 -9.089 -24.020 -24.020 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.00 1.00 1.33 0.00 1.33 1.33 0.00 1.33 2.00 2.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">48 45 45 106 106 37 106 39 48 106 39 45 48 37 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O P P O P O O P O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.897</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">175</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.71 11.02 7.01 6.75 5.62 5.06 4.86 3.60 2.69 2.57 2.54 1.87 1.54 1.12 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:x P:y P:x P:z P:z P:z P:y P:z P:y P:x P:x P:z P:y P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 2.224 -5.485 2.224 -5.485 -9.089 2.224 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.00 1.00 0.00 1.00 1.33 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">48 39 45 37 48 37 45 106 39 106 106 106 106 37 106 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O P O P P P P O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.707</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">176</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.13 5.19 4.79 4.00 3.91 3.55 3.45 3.41 2.90 2.86 2.80 2.78 2.75 2.71 2.50 2.40 2.07 2.03 1.84 1.61 1.53 1.35 1.35 1.29 1.28 1.26 1.22 1.17 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:x P:y P:z P:y P:x P:y P:y D:x2-y2 D:x2-y2 P:z P:z D:z2 P:y P:y D:xz P:z P:y D:xy D:x2-y2 P:z P:y P:z D:yz D:x2-y2 D:xy D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">91 92 96 62 67 99 61 96 60 11 6 97 62 11 61 66 12 60 58 6 13 91 70 58 6 10 7 8 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O W W O O W O O W O O W W 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">-11.661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">177</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.59 7.98 6.56 5.87 3.91 3.62 3.21 3.02 2.73 2.63 2.50 2.22 2.07 2.06 1.89 1.82 1.78 1.76 1.62 1.53 1.34 1.24 1.24 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:z P:y P:y P:y P:x P:x P:z P:y P:z D:x2-y2 P:x P:x D:yz P:z D:z2 P:y P:y D:yz P:y D:xz D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 99 97 66 58 70 91 92 58 62 70 10 96 61 6 62 15 96 61 11 60 15 14 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W O O W O W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.631</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">178</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.18 7.20 6.09 5.54 4.68 4.63 4.42 3.64 3.59 3.48 2.85 2.63 2.55 2.04 1.99 1.91 1.72 1.53 1.46 1.45 1.42 1.18 1.16 1.12 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:y P:y P:x P:z P:y P:y D:x2-y2 P:z D:xz D:x2-y2 D:x2-y2 P:z D:z2 D:xy P:z D:yz D:yz D:xy D:xz D:x2-y2 P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">31 22 52 29 52 28 29 28 27 1 27 2 16 3 31 1 16 22 18 3 17 18 17 33 50 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O W W W O W W O W W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">179</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.88 11.33 8.17 7.46 5.18 4.13 3.73 3.26 2.98 2.70 2.62 2.17 1.70 1.40 1.23 1.20 1.08 1.05 1.05 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:z P:y P:y P:z P:y D:x2-y2 P:z D:z2 D:yz D:yz D:xz D:x2-y2 D:yz P:z D:xz D:yz P:x D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">33 50 51 32 25 25 36 20 36 5 16 1 5 4 4 50 19 19 22 20 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O W W W W W W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">180</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.96 4.81 4.65 4.46 4.43 4.30 4.17 3.59 3.29 2.83 2.47 2.41 2.35 2.30 2.23 1.87 1.73 1.63 1.59 1.57 1.38 1.34 1.30 1.25 1.23 1.21 1.16 1.15 1.13 1.09 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:y P:z D:z2 P:x P:x P:x P:x D:x2-y2 P:y P:x P:z P:x P:y P:x P:z D:xz P:z D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:x2-y2 P:z D:yz P:z D:xz P:y D:xz D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 0.80 0.80 1.00 1.33 0.80 1.33 1.00 1.33 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">68 89 81 56 102 49 82 57 59 102 69 74 89 90 74 63 57 103 59 15 10 14 7 103 90 8 82 102 63 10 13 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O Tc O O O O Tc O O O O O O O Tc O W W W W Tc O W O Tc O W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">181</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.07 4.64 4.58 4.31 4.25 3.38 3.21 3.00 2.92 2.87 2.69 2.52 2.41 2.40 2.26 2.19 1.91 1.90 1.80 1.77 1.49 1.36 1.21 1.13 1.09 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:y P:z P:y P:x P:z P:x P:x P:z P:x P:y P:z P:x D:x2-y2 P:x D:xz P:y S D:x2-y2 D:x2-y2 P:z D:yz D:x2-y2 D:xz D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -5.054 -6.681 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 2.00 1.00 0.80 1.33 0.80 0.80 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">57 89 81 56 69 49 68 74 82 57 90 74 89 63 15 59 12 63 103 102 10 90 8 9 103 14 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O W O W O Tc Tc W O W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">182</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.90 10.22 9.15 6.56 5.19 5.03 4.82 3.76 3.16 2.42 2.36 2.25 2.24 2.14 1.87 1.82 1.54 1.47 1.42 1.31 1.25 1.15 1.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:x P:z P:x P:x P:z D:x2-y2 D:z2 D:xz P:z P:z D:xz D:xz D:x2-y2 D:yz D:xz D:xy D:yz P:z P:y S D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -5.054 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">55 34 44 95 42 26 55 20 101 101 26 44 20 17 4 3 100 17 17 42 55 101 3 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W Tc Tc O O W W W W Tc W W O O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">183</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.84 8.96 6.60 5.27 5.24 4.66 4.56 3.81 3.79 3.67 3.25 2.47 2.47 2.32 1.88 1.75 1.43 1.35 1.23</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:z D:x2-y2 P:x D:x2-y2 P:y D:xz P:z D:yz D:x2-y2 D:z2 D:xz P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 0.80 1.33 0.80 0.80 1.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">24 94 35 40 75 40 24 5 83 101 83 2 75 18 19 101 5 24 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O W O Tc O W O W W Tc W O W</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">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.87 7.15 6.30 5.90 5.02 4.99 4.46 4.35 4.29 3.92 3.50 3.47 2.41 2.14 2.11 1.84 1.26 1.23 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:y P:x P:x P:z P:y P:y D:z2 D:x2-y2 D:x2-y2 P:x D:yz D:xy P:y P:z D:x2-y2 D:yz P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">91 67 99 96 92 97 66 96 11 6 11 61 6 6 61 91 14 11 99 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W W W O W W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.004</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">185</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">9.62 9.22 7.14 6.93 6.21 4.29 4.22 3.65 2.78 2.75 2.46 2.28 2.22 1.74 1.45 1.34 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:z P:y P:x P:y P:x P:x P:x P:y D:yz D:yz P:z D:x2-y2 P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">67 99 97 66 91 96 92 96 61 61 6 11 91 11 92 6 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.990</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">186</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.65 6.34 5.78 5.60 5.11 5.07 4.02 3.88 3.87 3.85 3.78 3.73 2.51 2.47 2.20 1.93 1.13 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:z P:x P:y P:y P:z D:x2-y2 D:z2 D:x2-y2 P:x P:y D:xy P:y P:z D:yz D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">31 52 33 22 50 52 51 16 1 1 28 32 16 28 31 16 4 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O W W W O O W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.921</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">187</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.84 10.47 7.92 7.82 5.11 3.99 3.68 3.19 2.66 2.60 2.58 2.58 1.98 1.37 1.32 1.27 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:z P:y P:x P:y P:x P:x D:yz D:yz P:x P:y P:z D:xz D:x2-y2 P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">33 50 51 32 31 52 22 52 16 1 28 28 31 16 1 22 32 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O W W 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">-10.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">188</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.42 7.86 6.16 4.65 4.24 3.79 3.06 2.77 2.63 2.50 2.37 2.26 2.01 1.86 1.79 1.61 1.58 1.55 1.38 1.35 1.30 1.21 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:y P:x P:z P:x D:x2-y2 P:y D:xz D:yz P:y P:x P:z P:x D:yz P:y D:x2-y2 P:z P:y D:z2 D:xy P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">62 62 60 91 60 96 13 70 12 8 96 92 70 61 13 61 7 97 58 8 7 66 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W O W W 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">-10.875</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">189</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.34 7.90 7.02 5.05 4.18 3.92 3.63 3.41 3.09 2.69 2.52 2.34 2.18 2.15 1.77 1.71 1.39 1.37 1.31 1.29 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:y P:z P:z P:z P:y P:y P:y D:x2-y2 D:x2-y2 P:z D:xz D:z2 P:y D:yz D:xy P:x D:xz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">70 70 58 58 67 97 99 62 66 10 14 62 9 15 60 14 9 91 15 9 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O W W O W W O W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">190</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.97 11.15 7.61 6.58 6.12 4.40 3.77 3.16 2.92 2.92 2.43 2.08 2.06 1.99 1.67 1.66 1.58 1.36 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:y P:x P:z P:x D:xz D:x2-y2 P:y P:x D:yz D:yz D:x2-y2 D:z2 P:x P:y D:xy P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</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 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">29 29 27 31 27 52 2 3 52 22 18 3 17 18 28 28 17 31 18 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W W O O W W W W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">191</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">19.40 5.77 4.66 4.08 3.64 3.55 3.04 2.94 2.72 2.50 2.23 2.10 2.00 1.91 1.84 1.65 1.58 1.54 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:x S P:z P:y P:x P:x P:z D:x2-y2 P:x S D:x2-y2 P:z D:x2-y2 P:y P:x P:x D:xz P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.493 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -24.020 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 2.471</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 2.00 1.00 1.33 0.80 1.33 1.33 1.33 1.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">72 90 104 72 63 63 57 90 9 74 72 102 57 15 81 49 59 102 74 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O H O O O O O W O O Tc O W O O O Tc O H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">192</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.35 7.77 5.30 4.89 4.52 3.56 3.39 3.04 2.51 2.46 2.43 2.41 1.93 1.59 1.49 1.46 1.42 1.33 1.33 1.26 1.21 1.11 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:z P:z P:z P:z P:x P:x D:x2-y2 P:x D:xz D:xz P:z P:y P:y D:z2 P:z D:z2 P:y P:x D:x2-y2 P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">89 59 49 89 68 56 59 57 82 14 90 7 10 57 89 81 13 49 14 69 63 10 90 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O W O W W O O O W O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.749</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">193</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">13.64 10.80 7.77 6.23 5.66 4.88 4.18 4.11 3.19 2.72 2.70 2.67 2.62 2.19 1.50 1.34 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:z P:y P:z P:z P:y P:y P:z D:yz D:x2-y2 D:xz D:z2 D:x2-y2 D:yz D:xy D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</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 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">36 36 25 25 51 32 50 33 4 20 19 5 4 19 19 20 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O 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">-10.695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">18.24 6.79 4.65 4.38 4.32 3.73 3.73 3.26 3.12 2.86 2.36 1.96 1.92 1.61 1.54 1.46 1.39 1.24 1.23 1.11 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:x P:y P:y S D:x2-y2 P:z P:z P:x P:x D:xz P:z S P:x P:z D:yz P:z D:xz P:x P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.493 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -24.020 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.00 1.33 2.00 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">72 57 69 81 104 102 72 57 90 89 102 68 72 59 56 8 71 12 71 90 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O H Tc O O O O Tc O O O O W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.654</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">195</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.55 9.21 6.09 5.97 4.81 4.33 3.51 2.86 2.75 2.18 2.01 1.80 1.70 1.62 1.49 1.43 1.38 1.35 1.31</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:z P:x P:z P:z D:x2-y2 P:x P:z D:xz P:x D:xz D:x2-y2 P:x P:y D:yz D:z2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">55 26 34 42 55 26 4 44 95 17 24 20 20 75 55 3 3 4 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W O O W O W W O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.653</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">196</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.79 9.15 5.26 4.84 4.74 4.20 3.89 2.89 2.47 2.36 2.12 1.91 1.89 1.78 1.53 1.40 1.40 1.37 1.21 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:y P:z P:x P:y P:z P:y D:x2-y2 D:x2-y2 P:y D:yz P:x P:x P:x P:z P:x P:y D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">24 75 94 24 83 98 75 83 5 19 35 18 26 55 40 34 42 24 2 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W W O 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">-10.590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">197</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">18.22 8.76 6.18 3.96 2.51 2.41 2.22 2.13 2.01 1.88 1.82 1.72 1.55 1.49 1.39 1.31 1.10</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 D:xz D:x2-y2 D:xz P:y D:yz P:z P:z D:xy P:x P:y P:x P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.00 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">38 38 103 101 101 38 103 73 68 103 37 72 49 56 73 80 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O Tc Tc Tc O Tc O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">198</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">7.56 6.87 6.33 4.95 4.83 4.67 4.44 3.21 3.03 2.75 2.70 2.55 2.53 2.51 2.07 2.03 1.98 1.47 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:x P:z P:y D:z2 P:x P:y P:x P:y P:y D:x2-y2 D:xz D:x2-y2 D:z2 P:z D:xz D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.00 1.00 1.33 1.00 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">68 49 56 81 102 63 69 82 74 63 103 102 102 103 82 103 103 74 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O Tc O O O O O Tc Tc Tc Tc O Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">199</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">40.77 10.29 10.14 4.79 3.88 3.46 2.17 1.52 1.34 1.34</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:y P:z S S D:xz D:x2-y2 S P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.493 -24.020 -6.681 -6.681 2.471 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.33 1.33 1.00 2.00 1.00 1.00 0.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">98 98 105 98 100 100 105 39 24 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O H O Tc Tc H O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.484</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">200</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="38">3.49 3.28 3.04 2.80 2.50 2.28 2.24 2.24 2.22 2.18 2.16 2.07 2.03 1.96 1.94 1.88 1.80 1.79 1.70 1.64 1.63 1.63 1.63 1.54 1.53 1.50 1.44 1.43 1.21 1.20 1.19 1.18 1.13 1.10 1.09 1.09 1.06 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:x P:x D:xy P:x P:x D:xz P:z P:y P:y P:x D:xy P:y P:z D:xz D:xy D:z2 D:z2 D:yz P:y P:y P:z P:z P:y P:z P:x P:z P:x P:y P:z P:z D:xz P:z P:x D:xz P:y P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">99 67 10 66 97 11 96 68 89 58 14 82 61 15 6 8 12 102 59 92 57 74 49 63 70 91 38 56 62 90 9 81 91 6 91 92 11 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O W O O W O O O O W O O W W W W Tc O O O O O O O O O O O O W O O W O O W Tc</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">201</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.55 3.16 3.03 2.82 2.58 2.42 2.15 2.10 2.08 2.06 2.02 1.97 1.86 1.80 1.73 1.68 1.67 1.64 1.59 1.56 1.53 1.52 1.49 1.43 1.42 1.34 1.33 1.32 1.26 1.24 1.23 1.16 1.15 1.14 1.12 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:x P:x P:x D:xy P:x P:z D:xz P:y D:xy P:y P:x P:z P:z D:xy D:z2 P:y P:y D:xz P:z P:y P:y P:y D:yz P:y P:z P:z P:x D:yz D:z2 P:z D:xy D:xz D:xz P:z P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">50 33 32 20 51 28 1 44 4 55 25 52 40 16 18 42 34 5 24 22 26 98 101 31 31 83 36 3 2 75 1 16 19 29 94 34 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O W O O W O W O O O O W W O O W O O O O Tc O O O O W W O W W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">202</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.60 5.40 3.88 3.14 2.96 2.91 2.57 2.11 2.07 1.68 1.62 1.53 1.44 1.36 1.33 1.30 1.21 1.18 1.17 1.17 1.15 1.08 1.08 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:z P:y P:x P:y P:z P:z P:x D:z2 D:yz P:z P:y D:xz P:z P:y P:z P:y D:x2-y2 D:yz D:yz P:y D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">71 80 71 73 49 76 68 99 82 102 10 92 78 6 77 67 73 88 7 15 11 80 6 96 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O Tc W O O W O O O O W W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.335</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">203</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.68 4.50 3.92 3.17 2.91 2.61 2.33 2.27 2.01 1.99 1.92 1.91 1.91 1.86 1.84 1.70 1.64 1.63 1.55 1.53 1.52 1.43 1.33 1.21 1.19 1.17 1.15 1.07 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:x P:z P:z P:y P:y P:y P:x D:z2 P:z P:y P:z P:z P:x D:z2 P:y D:xz D:xz D:xz P:y P:y P:z P:y D:x2-y2 D:x2-y2 D:z2 P:z D:yz D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 0.80 1.00 1.33 1.33 1.33 1.33 1.00 1.00 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">42 95 34 35 45 94 44 101 39 40 37 48 83 100 37 100 17 101 39 83 44 48 101 100 20 45 16 2 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O Tc O O O O O Tc O Tc W Tc O O O O Tc Tc W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.325</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">204</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.60 4.50 2.78 2.12 2.03 1.88 1.87 1.78 1.55 1.51 1.39 1.34 1.31 1.29 1.29 1.27 1.26 1.25 1.25 1.20 1.19 1.17 1.17 1.15 1.15 1.09 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:z P:x P:y D:z2 P:x P:y P:x P:x P:y P:z D:yz P:y P:y P:y D:xy P:x P:z P:y P:y D:x2-y2 P:y D:xy P:x D:xz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">76 80 76 80 14 80 81 62 91 73 70 107 71 88 63 9 96 59 67 70 9 90 13 63 8 15 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W O O O O O O P O O O W O O O O W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.320</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">205</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">4.50 4.25 3.94 3.78 2.44 2.33 2.08 1.90 1.70 1.68 1.40 1.33 1.24 1.21 1.19 1.17 1.16 1.10 1.06 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:x P:x P:y P:y D:z2 P:z P:y P:x P:z P:x P:y P:z D:yz P:z P:z D:x2-y2 P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">73 71 80 72 81 10 89 69 73 76 63 74 80 12 58 81 101 82 37 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O W O O O O O O O W O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">206</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.22 5.76 2.70 2.54 2.44 2.27 2.26 2.13 1.50 1.46 1.40 1.26 1.25 1.20 1.17 1.16 1.11 1.10 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:x P:y P:z P:x P:z P:y D:z2 P:y P:z P:z P:y P:x P:x P:y P:y P:x D:xy D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">80 73 71 76 80 71 6 97 96 73 91 63 42 92 80 77 107 11 76 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O O O O O O O O O P W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">207</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.01 4.87 2.67 2.62 2.55 2.40 2.36 2.29 2.23 1.98 1.80 1.79 1.75 1.69 1.69 1.60 1.44 1.43 1.34 1.33 1.32 1.26 1.21 1.09 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:z P:z P:x P:z P:x P:z P:z P:y P:x D:z2 D:x2-y2 P:y P:z P:x D:x2-y2 D:z2 D:yz D:x2-y2 P:z D:xz P:x P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.00 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="26">48 48 39 37 42 45 52 34 50 45 29 4 17 75 36 39 3 101 16 16 85 18 45 35 20 42</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 W Tc 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">-10.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">208</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.71 4.29 3.03 2.86 2.80 2.78 1.99 1.85 1.82 1.70 1.69 1.68 1.66 1.64 1.51 1.42 1.37 1.32 1.31 1.27 1.21 1.20 1.17 1.09 1.08 1.06 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:y P:y P:y P:x P:y P:y P:x P:z P:z D:x2-y2 D:z2 P:y P:x P:y P:z P:x D:xy D:x2-y2 P:y P:x D:yz D:z2 D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">45 94 83 37 39 83 48 46 45 34 31 101 101 33 40 36 95 42 3 19 35 51 1 2 1 39 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O Tc Tc O O O O O 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">-10.216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">209</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.38 4.06 3.77 2.50 1.73 1.62 1.51 1.38 1.34 1.33 1.26 1.26 1.24 1.23 1.20 1.18 1.17 1.12 1.10 1.07 1.07 1.03 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:x P:y P:z P:y D:xy P:z P:x P:z P:z P:y P:z P:x P:x P:x P:y P:x P:y P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">76 71 72 76 39 11 66 37 39 95 24 86 44 73 42 67 68 98 35 40 38 73 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.167</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">210</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.73 4.58 4.39 3.09 3.06 3.03 3.02 2.52 2.38 2.02 1.87 1.60 1.57 1.55 1.35 1.31 1.30 1.29 1.22 1.20 1.14 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:y P:z D:xy P:x P:y P:y P:z P:z P:z D:z2 P:z P:y P:x P:x P:x P:y P:y P:x P:z P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">45 39 37 45 1 48 39 31 37 32 48 16 52 33 24 42 46 51 28 55 22 50 106 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W O O O O O O W O O O O O O O O O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">211</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.19 5.35 4.61 3.87 3.35 2.95 2.81 2.41 2.29 1.79 1.62 1.60 1.54 1.48 1.38 1.34 1.31 1.23 1.21 1.19 1.17 1.13 1.12 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:x P:y P:z P:y P:z P:x P:y P:z P:y P:z P:y P:y S P:x P:y P:y P:z P:z P:z D:xy D:xy D:xz P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -5.054</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 2.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">71 81 68 63 73 49 73 49 76 80 74 69 103 63 90 57 56 82 59 13 15 8 68 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O Tc O O O O O O W W W O Tc</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">212</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">6.04 2.84 2.51 2.46 2.15 2.09 1.98 1.98 1.64 1.44 1.43 1.32 1.28 1.28 1.22 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:x P:y P:y P:z P:x P:y P:x D:z2 P:z P:z P:x P:x P:x P:z P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">48 45 39 98 39 38 51 39 16 48 37 76 42 80 45 83 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O W O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.068</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">213</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.72 5.68 5.06 4.28 3.90 3.73 3.27 3.03 2.71 2.66 2.29 2.26 2.06 2.05 2.03 1.59 1.58 1.48 1.35 1.27 1.21 1.14 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x D:xz P:z P:x P:z P:z P:x D:xy P:y P:y P:y D:xy P:y D:xz D:xz P:z P:y D:xy P:x D:xy D:x2-y2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 99 11 91 66 96 61 97 6 96 89 92 10 91 6 15 57 97 11 57 14 6 92 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O W O O O O O W O O O W O W W O O W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.044</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">214</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.20 5.76 4.78 3.33 3.27 2.93 2.71 2.70 2.36 2.13 1.73 1.61 1.60 1.48 1.43 1.34 1.27 1.18 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:y P:x P:x P:z P:z P:y S P:y P:y P:x P:x P:z P:x P:y P:x P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">94 34 83 42 37 42 39 39 101 35 40 44 83 95 48 75 38 45 40 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O Tc 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">-10.005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">215</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.27 3.08 2.73 2.68 2.42 2.27 2.19 2.12 2.11 2.10 2.07 1.99 1.67 1.66 1.66 1.63 1.55 1.52 1.51 1.50 1.38 1.35 1.34 1.25 1.24 1.22 1.17 1.08 1.07 1.06 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:y D:yz P:x P:z P:z P:z D:z2 D:z2 P:y P:z D:z2 P:z P:x D:xy P:y P:y D:xy P:x P:z D:z2 P:x P:z D:xy P:y D:x2-y2 P:z P:y P:x P:x D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">70 89 10 60 57 58 62 8 12 59 91 15 81 62 14 68 96 7 67 90 13 96 92 13 90 7 99 58 97 58 9 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O W O O O O W W O O W O O W O O W O O W O O W O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.976</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">216</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.49 5.44 5.30 3.98 3.82 3.45 3.35 2.89 2.86 2.81 2.37 2.32 2.12 1.64 1.63 1.62 1.52 1.51 1.25 1.11 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">P:x P:x D:xz P:z P:z P:z P:x P:y P:x D:xy P:y P:y D:xy P:z D:xz P:y D:xz P:y D:x2-y2 P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">50 33 1 31 28 52 32 52 51 16 55 22 20 24 16 31 5 51 16 40 34 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W O O O O O O W O O W O W O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.967</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">217</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.57 2.84 2.13 1.98 1.80 1.78 1.71 1.70 1.54 1.46 1.46 1.37 1.22 1.21 1.13 1.08 1.07 1.07 1.06 1.04 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:x P:z P:y P:y D:z2 D:yz P:z P:z P:x P:y P:z P:z D:xy D:yz D:xy P:y P:z P:y P:y D:x2-y2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">38 38 97 68 6 102 81 66 37 22 48 62 16 103 11 62 96 67 92 8 49 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W Tc O O O O O O W Tc W O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">218</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">2.91 2.53 2.42 2.18 2.10 2.05 2.04 2.03 1.99 1.98 1.82 1.81 1.79 1.77 1.74 1.74 1.73 1.67 1.52 1.51 1.32 1.23 1.22 1.14 1.10 1.08 1.05 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 D:yz P:z P:y P:z P:y P:x P:x P:z P:z D:z2 P:z P:z D:z2 P:y D:z2 D:xy P:y P:z D:xy P:y P:z P:x D:yz P:x P:y D:z2 P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">27 20 29 55 94 34 29 36 31 50 3 24 25 2 26 18 17 33 75 18 52 22 83 5 33 29 5 32 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O W O O O O O O O O W O O W O W W O O W O O O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">219</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">5.57 2.68 2.25 2.20 2.04 1.94 1.86 1.74 1.67 1.65 1.44 1.40 1.36 1.33 1.31 1.19 1.18 1.17 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x D:yz P:z P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">38 63 102 38 70 62 68 56 81 69 82 49 80 93 49 58 76 74 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O Tc O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">220</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">2.38 2.17 1.88 1.70 1.70 1.69 1.60 1.43 1.40 1.27 1.27 1.27 1.27 1.26 1.25 1.25 1.23 1.23 1.19 1.18 1.17 1.11 1.11 1.10 1.10 1.10 1.08 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:z2 D:x2-y2 P:y D:x2-y2 P:y P:z P:x D:x2-y2 P:y P:z P:z P:y P:y P:x P:z P:z D:x2-y2 D:xz D:yz P:z D:x2-y2 P:x P:z D:z2 P:z D:z2 P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.00 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="30">15 7 8 67 12 57 99 58 6 91 49 89 97 62 70 65 23 9 14 10 62 103 63 82 11 66 13 86 78 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W O W O O O W O O O O O O O O W W W O Tc O O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">221</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.39 3.35 3.27 2.42 2.20 1.96 1.95 1.95 1.95 1.84 1.82 1.81 1.72 1.60 1.54 1.52 1.45 1.36 1.32 1.32 1.31 1.24 1.22 1.16 1.15 1.06 1.05 1.03 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z D:yz P:y P:y P:z P:x P:y P:z P:x P:x P:y D:x2-y2 P:x P:y P:z P:x D:x2-y2 P:z D:z2 P:z P:y D:yz P:y D:yz D:yz D:xy D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.00 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">34 94 101 29 95 35 83 44 29 29 36 42 18 25 31 52 53 19 40 3 27 27 17 36 100 5 2 4 45 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O Tc O O O O O O O O O W O O O O W O W O O W O Tc W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.735</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">222</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">2.70 2.49 2.09 1.93 1.92 1.78 1.76 1.65 1.63 1.51 1.48 1.47 1.40 1.39 1.39 1.29 1.25 1.23 1.20 1.20 1.19 1.17 1.16 1.15 1.13 1.09 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">D:yz P:x P:x P:y D:x2-y2 P:z P:z P:y D:z2 P:z P:y D:xy P:x P:y D:z2 D:yz D:x2-y2 D:z2 P:y P:z P:z D:x2-y2 P:z P:z P:y D:xz P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 1.33 1.33 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 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">5 25 36 33 18 50 44 29 3 29 40 20 83 51 17 20 16 1 24 55 94 19 47 32 31 4 79 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W O O O W O O O W O O W O O W W W W O O O W O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.606</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">223</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">2.90 2.81 2.77 2.69 2.32 2.20 2.00 2.00 1.94 1.82 1.73 1.72 1.67 1.59 1.56 1.56 1.49 1.47 1.44 1.39 1.37 1.35 1.30 1.26 1.22 1.21 1.18 1.16 1.13 1.13 1.10 1.09 1.09 1.07 1.06 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:y P:y P:x D:z2 P:z P:z P:z P:y P:y D:xz D:z2 P:y D:xz P:y D:yz P:y D:xy P:z P:z P:y D:x2-y2 P:y D:xy D:z2 P:x P:z P:z P:z P:z P:y P:y P:z D:xy D:xz D:x2-y2 D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">67 66 97 11 88 92 99 57 77 6 6 91 14 58 15 90 9 78 59 61 12 54 11 7 87 23 66 89 77 97 88 97 15 10 6 11 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O W O O O O O W W O W O W O W O O O W O W W O O O O O O O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.586</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">224</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">3.18 2.91 2.42 2.26 2.23 2.22 2.18 2.17 1.96 1.95 1.95 1.90 1.77 1.74 1.72 1.72 1.71 1.70 1.65 1.57 1.53 1.49 1.35 1.34 1.29 1.23 1.22 1.15 1.14 1.14 1.13 1.09 1.08 1.06 1.06 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:x D:z2 P:y P:y P:y P:z P:z P:y P:z P:z P:y P:z D:z2 P:y D:yz P:z P:x D:xy P:x P:x P:z D:yz D:xy P:x P:x P:x P:z P:y D:xy D:z2 D:xy P:x D:z2 D:xy P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">62 9 56 49 82 63 65 86 69 92 96 70 14 61 102 91 58 13 60 77 74 103 102 93 88 97 66 99 14 15 8 74 12 7 68 81 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O W O O O O O O O O O O W O Tc O O W O O O Tc Tc O O O O O W W W O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">225</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.79 2.65 2.37 2.03 1.87 1.75 1.74 1.70 1.65 1.63 1.59 1.58 1.52 1.41 1.40 1.37 1.30 1.23 1.15 1.14 1.11 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 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 D:xy P:x D:xz D:xy D:x2-y2 P:y P:y P:x P:x P:x P:x P:x P:z D:yz P:z D:xz P:z P:x D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">49 13 65 8 86 14 9 103 59 63 56 58 81 64 68 99 7 38 9 60 69 103 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O W O W O W W Tc O O O O O O O O W O W O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.536</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">226</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">3.45 2.80 2.67 2.44 2.31 2.18 2.06 1.87 1.85 1.65 1.51 1.38 1.36 1.33 1.32 1.29 1.17 1.12 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:y P:z D:xy P:y P:z D:xz P:z P:x P:z P:y D:xy P:z P:y P:z P:x P:y D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">71 87 92 71 6 78 82 10 77 88 93 65 13 80 61 61 77 74 8 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W O O W O O O O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">227</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">2.03 1.89 1.89 1.82 1.78 1.53 1.53 1.51 1.39 1.39 1.35 1.28 1.21 1.17 1.15 1.10 1.07 1.04 1.03 1.02 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 D:z2 P:z P:y P:x P:y P:z P:y D:xz D:z2 P:z D:xy P:z P:y D:x2-y2 P:y P:y P:z P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 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 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">85 1 50 32 51 28 46 33 16 16 51 19 22 75 16 71 31 84 24 17 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O W O O O O O O W W O W O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.499</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">228</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.98 4.58 3.72 3.43 2.36 2.03 1.91 1.66 1.64 1.64 1.62 1.58 1.52 1.46 1.42 1.36 1.28 1.20 1.19 1.17 1.13 1.11 1.09 1.06 1.06 1.06 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:x P:y P:x P:x D:xz P:y D:x2-y2 P:y D:xy D:z2 P:x P:z D:xz P:y P:y D:x2-y2 D:yz P:z D:yz P:z D:yz P:x P:y P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">56 73 23 54 7 88 12 93 11 7 77 73 14 58 23 8 10 70 6 64 11 69 69 59 97 86 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W O W O W W O O W O O 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">-9.492</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">229</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.06 3.57 3.43 3.41 3.38 3.25 3.02 2.67 2.59 2.50 2.50 2.44 2.29 2.24 2.22 1.46 1.43 1.42 1.38 1.28 1.18 1.06 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:z D:yz D:yz P:z P:x D:yz P:z P:x D:yz P:y P:y P:x P:z P:y P:z D:yz P:y D:xy P:z P:x D:xz P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">54 15 12 58 69 14 66 71 10 87 86 60 73 70 78 7 23 7 97 23 12 58 67 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O W W O O W O O W O O O O O O W O W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.479</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">230</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.70 2.35 2.03 1.96 1.91 1.84 1.81 1.78 1.70 1.63 1.61 1.52 1.52 1.50 1.48 1.46 1.46 1.45 1.40 1.37 1.37 1.33 1.33 1.31 1.25 1.18 1.09 1.07 1.07 1.06 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">P:x D:z2 P:z P:y P:y P:y P:y P:y P:z P:z P:y P:z D:xy P:x D:z2 D:yz P:y P:y P:x P:y P:z D:xz P:z P:z D:yz D:xy P:x P:z P:z P:x D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">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 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">29 19 22 95 28 50 42 52 31 35 32 83 18 27 4 101 44 41 53 34 33 3 36 79 20 3 51 40 32 36 2 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W O O O O O O O O O O W O W Tc O O O O O W O O W W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">231</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">2.15 2.13 1.76 1.73 1.69 1.68 1.61 1.58 1.58 1.40 1.36 1.23 1.17 1.15 1.10 1.06 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z D:xz P:x P:x P:z P:y P:y D:x2-y2 P:y P:x P:y D:xy P:y P:y D:x2-y2 D:z2 D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">69 13 46 68 64 54 38 6 57 87 88 12 23 96 12 13 15 66 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O W O O O O O W O O O W O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.428</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">232</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">2.49 1.92 1.85 1.50 1.48 1.42 1.39 1.39 1.32 1.31 1.30 1.24 1.15 1.14 1.13 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:x2-y2 P:z P:x D:z2 P:y P:z P:z P:x P:y D:xy P:y P:z P:z D:xz P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">8 23 85 7 22 65 44 34 56 16 93 21 38 3 93 41 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W O O W O O O O O W O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.412</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">233</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.93 3.56 3.24 2.94 2.36 1.77 1.45 1.42 1.32 1.28 1.15 1.15 1.13 1.12 1.12 1.11 1.09 1.08 1.04 1.02 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:z P:y P:z P:z P:y P:z D:xz P:z P:y P:y D:xy P:x D:xy P:y D:xz D:xy P:y P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">37 21 47 37 85 46 44 20 28 27 40 15 41 16 22 4 3 79 26 78 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O O O W O W O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">234</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.30 5.25 3.15 3.06 2.61 2.52 1.94 1.92 1.83 1.76 1.59 1.58 1.54 1.54 1.51 1.31 1.22 1.22 1.22 1.13 1.10 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:z P:x P:y P:x P:z P:z P:x P:x D:xz D:xy D:z2 P:x D:yz P:y D:xy P:x D:x2-y2 D:xz P:z D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">39 84 39 35 30 43 95 43 17 1 17 85 16 46 2 28 2 4 46 3 25 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O W W W O W O W O W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">235</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.68 3.51 2.57 2.55 2.44 2.36 2.35 2.17 2.00 1.88 1.88 1.86 1.82 1.65 1.50 1.48 1.30 1.26 1.25 1.23 1.17 1.16 1.14 1.13 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">D:x2-y2 P:y P:x D:yz P:x P:y P:y D:yz P:y P:y P:x D:xy P:x D:xy D:yz D:x2-y2 D:xy P:x P:x P:y P:z P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">18 84 27 17 43 39 53 2 27 25 95 17 29 5 20 2 19 79 47 21 27 43 37 31 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W O O W O O O W O O O W O W W W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">236</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">2.87 2.59 2.44 2.44 2.42 2.38 2.01 1.96 1.89 1.63 1.61 1.58 1.53 1.29 1.18 1.14 1.11 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">D:xy D:xy P:x P:x P:y P:x P:z D:xz P:z P:x D:x2-y2 D:xz P:x P:z P:y D:xz P:x D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">15 13 62 78 64 87 93 10 82 74 12 8 60 92 74 102 82 102 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W O O O O O W O O W W O O O Tc O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">237</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.44 2.36 2.29 2.13 2.12 2.02 1.88 1.83 1.72 1.50 1.47 1.42 1.41 1.35 1.34 1.33 1.31 1.21 1.16 1.16 1.13 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z D:yz P:z D:x2-y2 D:xz P:y P:y D:yz P:x P:z P:y D:z2 P:y P:z P:z P:y P:x P:x D:yz P:x D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">79 5 42 19 4 83 41 20 25 47 21 19 36 36 38 25 36 83 19 41 18 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O W O W W O O W O O O 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">-9.329</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">238</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.31 3.14 2.75 2.66 2.49 2.23 1.95 1.75 1.70 1.53 1.48 1.45 1.36 1.26 1.19 1.18 1.16 1.13 1.11 1.08 1.07 1.06 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy P:x P:y P:x P:z D:z2 D:xz P:z D:x2-y2 P:x P:z D:z2 P:x P:y D:yz D:xy P:z P:x D:xy D:z2 P:y P:y P:y P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.00 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">5 21 24 47 55 17 20 44 16 95 43 20 40 40 2 15 31 78 101 1 38 84 52 84 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W O O O O W W O W O O W O O W W O O Tc W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">239</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">2.24 1.96 1.65 1.51 1.43 1.41 1.32 1.30 1.30 1.29 1.26 1.25 1.23 1.23 1.22 1.20 1.15 1.12 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">D:xy P:x D:x2-y2 P:z P:z P:x P:x P:x P:y D:xy D:z2 P:z P:y P:y D:xz D:xy P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">5 47 2 23 53 21 92 56 30 3 10 44 24 40 20 101 40 82 43 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W O W O O O O O O W W O O O W Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">240</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.59 2.55 2.32 2.24 2.09 1.91 1.72 1.68 1.62 1.55 1.41 1.35 1.34 1.31 1.27 1.20 1.18 1.14 1.12 1.11 1.07 1.06 1.02 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:z P:y P:x P:z P:z D:xz P:z P:x P:y P:y P:x P:x P:x P:y P:z D:xz P:z P:y P:z P:x D:xz P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">97 88 86 49 56 14 67 81 58 66 65 61 93 78 86 8 70 63 65 64 13 21 90 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W O O O O O O O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.276</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">241</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.04 5.62 2.62 2.61 2.50 2.08 1.75 1.74 1.52 1.32 1.32 1.31 1.30 1.24 1.24 1.20 1.19 1.17 1.15 1.15 1.15 1.07 1.06 1.05 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:y P:z P:x P:z P:x P:x P:z D:yz P:y D:xz P:y P:x D:z2 D:yz P:z P:z P:y P:x P:z P:z D:xz D:z2 D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">66 97 99 67 92 58 91 65 80 10 69 9 61 87 10 15 77 78 82 68 63 64 13 14 5 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O W O O W W O O O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">242</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.62 3.90 3.21 2.89 2.75 2.63 2.42 2.15 2.04 1.92 1.79 1.70 1.55 1.52 1.52 1.38 1.37 1.26 1.18 1.15 1.11 1.05 1.03 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:z P:y P:y P:x P:x D:z2 D:yz D:xz P:z P:z P:y D:xy P:x D:yz P:y P:z D:x2-y2 D:x2-y2 P:x P:y P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">58 66 58 70 97 64 93 6 11 13 65 70 99 8 68 15 66 77 11 9 81 86 97 61 67 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W W W O O O W O W O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">243</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.30 5.68 2.95 2.75 2.38 2.37 2.35 2.25 2.14 1.91 1.75 1.68 1.57 1.36 1.33 1.32 1.30 1.28 1.27 1.22 1.21 1.14 1.13 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:z P:y P:y P:z P:x P:x P:x P:y P:x P:y D:yz P:z P:z P:z D:z2 P:y P:x P:y P:z D:yz P:z P:y P:x P:y P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</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 1.00 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">51 32 50 33 37 31 52 28 22 43 101 84 40 22 20 34 28 33 50 5 39 44 21 47 38 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O Tc O O O W O O O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">244</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.79 3.70 3.39 3.29 2.91 2.84 2.68 2.41 1.71 1.69 1.64 1.62 1.45 1.45 1.43 1.42 1.36 1.35 1.33 1.31 1.22 1.22 1.19 1.16 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:z D:z2 P:z P:z P:y P:y P:x P:y D:x2-y2 P:z D:xz P:z D:xz P:z P:y D:xy P:y P:x D:yz P:y P:z P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">32 51 35 17 25 84 95 43 36 50 2 33 4 85 5 42 46 2 44 25 20 25 29 45 95 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O O O O O O W O W O W O O W O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.164</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">245</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.16 2.97 2.80 2.43 2.19 2.11 2.06 2.02 1.91 1.88 1.78 1.71 1.58 1.57 1.48 1.47 1.46 1.32 1.25 1.23 1.20 1.18 1.18 1.17 1.16 1.13 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz P:x P:x D:xy P:y P:x P:y P:z P:x P:y P:z P:x P:z D:yz P:x P:z D:yz P:y P:y P:z P:z P:y P:y D:xz P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">3 30 53 18 25 94 36 85 34 46 53 79 36 1 50 25 16 75 51 51 32 26 83 19 75 26 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W O O W O O O O O O O O O W O O W O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">246</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">9.50 5.56 5.02 4.76 4.23 3.67 3.37 3.31 3.14 3.13 2.78 1.94 1.79 1.16 1.14 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">P:x P:x P:z P:x P:y P:y P:y P:z P:z P:y P:x P:y P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">92 61 97 91 66 96 61 67 61 99 96 92 91 65 66 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">247</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.34 4.24 3.39 2.78 2.71 2.64 2.24 2.22 2.22 2.18 2.12 1.98 1.97 1.93 1.85 1.73 1.71 1.64 1.61 1.58 1.58 1.53 1.51 1.38 1.36 1.32 1.21 1.19 1.16 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 D:x2-y2 D:z2 D:xz P:y P:z P:x P:y P:z P:y D:z2 P:z P:z P:y P:x P:y D:xy P:y P:z D:x2-y2 P:x P:x P:x P:z P:y P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">41 79 19 16 4 79 32 79 27 46 41 4 27 42 51 41 25 1 83 48 1 85 28 22 45 85 25 29 35 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O W W W O O O O O O W O O O O O W O O W O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">248</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.77 5.14 3.95 3.53 3.10 2.98 2.93 2.48 2.32 2.17 1.99 1.97 1.43 1.42 1.37 1.36 1.31 1.28 1.21 1.19 1.10 1.08 1.03 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">P:x P:x P:y P:y P:x P:z P:z P:x P:z P:y P:x P:z P:x D:xz P:z P:y P:y P:y P:z P:y D:xy P:y P:y P:z P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">93 64 70 58 80 86 70 76 58 65 88 99 77 13 66 67 66 91 97 54 8 62 97 96 23 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O W O O O O O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">249</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.20 6.37 5.16 5.01 4.67 4.22 4.20 3.47 2.52 2.04 1.90 1.72 1.66 1.63 1.54 1.47 1.26 1.25 1.07 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:x P:y P:x P:x P:x P:z P:y P:z P:z D:xz P:y P:y P:z P:z P:y D:xy P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">60 60 92 62 61 96 91 62 76 80 86 12 54 23 54 65 86 7 67 58 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O W O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.052</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">250</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">10.99 6.50 5.77 4.82 4.51 3.57 3.40 3.30 2.74 2.48 2.46 2.42 1.54 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:x P:x P:y P:y P:y P:x P:z P:z P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">22 28 31 28 52 32 52 51 28 33 31 50 22 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.048</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">251</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.50 3.22 2.83 2.65 2.20 2.12 2.00 1.96 1.91 1.81 1.77 1.70 1.61 1.61 1.60 1.49 1.48 1.47 1.43 1.35 1.30 1.25 1.25 1.24 1.14 1.14 1.13 1.13 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:y P:x P:x P:z P:y P:y P:y P:x P:z P:y P:x P:x D:xy P:x P:z P:x P:x P:z P:x P:x P:y P:y P:x P:z D:yz P:z P:x P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492</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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">71 61 65 92 87 78 63 96 77 92 86 62 93 9 61 49 72 86 70 64 80 99 70 88 65 102 56 76 88 91 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O W O O O O O O O O O O O Tc O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">252</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.09 4.87 4.75 4.42 3.59 3.40 2.43 2.35 2.05 2.03 2.01 1.93 1.66 1.61 1.51 1.41 1.38 1.27 1.25 1.22 1.21 1.11 1.06 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:y P:z P:z P:x P:z P:y P:y P:z P:z P:z P:x P:y D:xz P:x D:xy P:y P:x P:y D:xy P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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="26">30 53 36 25 36 25 48 51 43 51 32 50 84 45 32 3 33 2 79 46 33 4 31 41 75 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O 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">-9.009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">253</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.49 4.31 3.51 3.10 3.06 2.82 2.17 2.12 1.96 1.78 1.74 1.66 1.65 1.65 1.61 1.44 1.43 1.35 1.06 1.05 1.04 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:x P:y D:xy P:y P:x P:x P:y D:xy D:xy P:y P:z P:z P:z P:y P:z P:x P:x P:x D:z2 D:x2-y2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">54 87 78 73 15 64 49 68 60 12 13 88 86 68 56 74 77 61 92 69 6 12 97 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W 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">-8.994</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">254</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.52 5.43 4.71 3.41 3.09 3.02 2.93 2.82 2.47 2.16 1.69 1.50 1.34 1.29 1.26 1.15 1.13 1.10 1.07 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:z P:y P:x P:z P:z D:xz P:z D:x2-y2 P:y P:x D:xz P:z P:y P:y P:x P:x P:z P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">23 78 87 82 73 10 93 7 65 56 8 54 88 92 60 64 81 80 65 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O W O W O O W O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">255</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">4.43 4.25 3.63 3.16 2.99 2.64 1.57 1.45 1.44 1.40 1.37 1.36 1.30 1.28 1.28 1.24 1.22 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:z P:y P:x P:x P:x P:z P:x P:y P:z D:x2-y2 P:z P:x P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">22 27 27 29 31 69 58 60 60 69 74 12 29 56 56 28 68 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.977</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">256</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">6.04 4.96 4.19 3.64 3.39 3.33 2.35 1.98 1.80 1.46 1.36 1.27 1.24 1.19 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">P:y P:z P:x P:x P:z P:y P:x P:x P:x P:y P:z D:xz P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">27 27 28 52 29 29 22 31 69 45 48 2 43 84 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">257</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">7.28 5.56 4.63 3.27 2.82 2.49 1.86 1.84 1.83 1.82 1.33 1.27 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:x P:y P:x P:x P:z P:z P:y P:x P:z P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">56 82 69 49 74 68 38 81 63 93 38 38 64 69 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">258</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.84 3.61 2.99 2.98 2.83 2.80 2.43 2.32 2.19 2.05 2.03 2.01 2.00 1.74 1.66 1.63 1.55 1.31 1.22 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:x P:x P:y P:x P:x P:z P:y P:z P:z P:y P:y P:y P:z P:y P:y P:y P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">82 74 74 63 49 69 88 77 59 56 89 69 57 90 63 81 82 56 68 81 87 78</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">-8.925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">259</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.34 3.03 2.27 2.27 2.25 2.15 2.08 1.99 1.90 1.87 1.81 1.65 1.51 1.50 1.45 1.44 1.41 1.39 1.38 1.35 1.34 1.32 1.31 1.27 1.22 1.21 1.17 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x D:z2 P:y P:y P:y P:z P:z P:y D:x2-y2 P:z P:z P:z P:z P:z P:z P:y D:xy P:y P:y P:z D:xy P:x P:y P:z P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">27 2 46 84 95 85 39 43 17 43 94 53 21 35 29 39 3 30 45 41 17 32 34 51 47 47 33 29 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O W O O O O O O W O O O O O O O W O O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">260</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.40 3.32 3.26 3.01 2.87 2.72 2.72 2.64 2.45 2.28 2.24 2.17 1.95 1.95 1.91 1.90 1.87 1.79 1.68 1.66 1.64 1.54 1.52 1.41 1.37 1.31 1.21 1.15 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:y P:x P:z P:z D:xy P:x P:y P:x P:x P:z P:x P:x D:xz P:y P:x P:x P:x P:y D:x2-y2 P:x P:x P:x D:xz P:z P:y P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">47 37 21 43 19 95 94 79 84 34 53 30 4 50 41 83 35 84 2 29 85 43 17 33 35 42 41 42 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O W O O O O O O O W O O O O O W O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">261</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.14 2.42 2.17 1.94 1.79 1.71 1.68 1.65 1.62 1.56 1.56 1.43 1.38 1.32 1.28 1.28 1.20 1.20 1.19 1.18 1.15 1.14 1.07 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 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:z P:z P:z P:y P:x P:x P:y P:x P:z P:x P:y D:z2 P:y P:x P:y P:x P:z P:x D:xy P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">69 90 23 84 56 63 59 86 43 65 57 30 81 7 54 53 93 89 49 95 9 79 54 56 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O W O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.868</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">262</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.69 3.66 3.18 3.16 2.92 2.48 2.35 2.13 2.00 1.91 1.82 1.71 1.60 1.53 1.36 1.36 1.33 1.32 1.26 1.25 1.22 1.14 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:x P:x P:x P:z P:x P:z P:y D:z2 P:z P:y P:x P:z P:y P:y P:z P:z P:z P:x P:y P:y P:y P:y D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">44 21 95 42 84 44 35 40 17 95 43 47 26 47 55 85 56 34 32 46 95 69 93 20 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">263</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.71 2.76 2.67 2.57 2.52 2.51 2.51 2.44 2.40 2.38 2.36 2.23 2.01 1.92 1.90 1.82 1.80 1.68 1.62 1.61 1.61 1.43 1.15 1.11 1.07 1.07 1.05 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z P:z D:xz P:y P:y P:x D:xy P:z D:yz P:z P:y P:z P:z P:y P:x P:x P:z D:yz P:y P:x P:y P:z P:y P:x D:xy P:y P:z D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">49 77 63 11 93 88 99 6 67 102 64 66 96 97 56 67 97 69 103 91 81 99 91 68 66 102 82 61 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O W O O O W O Tc O O O O O O O O Tc O O O O O O Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.832</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">264</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.53 2.90 2.35 2.11 1.99 1.89 1.75 1.73 1.73 1.49 1.48 1.43 1.40 1.40 1.25 1.14 1.13 1.10 1.03 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:z P:y P:x P:x P:z P:y P:z P:y P:z P:z P:x P:z D:z2 D:x2-y2 P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">44 64 93 42 40 95 43 34 55 84 85 86 24 13 2 22 46 28 57 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.815</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">265</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.00 2.80 2.65 2.39 2.24 2.02 1.81 1.80 1.74 1.68 1.65 1.54 1.51 1.44 1.41 1.40 1.36 1.36 1.36 1.35 1.29 1.28 1.23 1.17 1.16 1.16 1.10 1.09 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:z D:z2 P:z P:x P:z P:x P:y P:z P:z P:y P:y P:z P:y P:x P:y P:x P:z P:z P:y P:y P:y P:y P:x P:z P:z D:yz P:x D:z2 D:x2-y2 P:y D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">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 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">88 13 64 49 81 87 68 56 78 59 70 57 77 63 89 44 70 61 93 87 88 58 97 96 91 7 82 8 8 69 15 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W O O O O O O O O O O O O O O O O O O O O O O O W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.811</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">266</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">5.15 4.76 4.23 2.72 2.30 2.10 2.02 1.84 1.76 1.68 1.44 1.35 1.32 1.14 1.11 1.10 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:x P:z P:x P:y P:x P:y P:z P:x P:y P:z P:z P:x P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">35 40 95 44 65 83 94 40 37 85 46 34 42 86 77 35 77 83</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">-8.798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">267</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">5.03 2.83 2.79 2.64 2.10 2.09 1.72 1.66 1.57 1.41 1.37 1.33 1.24 1.24 1.23 1.17 1.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:x P:y P:z P:y P:z P:x P:y P:z P:x P:y P:z P:x P:x D:x2-y2 P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">77 35 88 77 40 88 44 65 86 40 78 95 43 42 2 83 87 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">268</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">6.38 4.13 2.45 1.99 1.77 1.66 1.63 1.61 1.55 1.52 1.49 1.45 1.30 1.18 1.16 1.14 1.11 1.10 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:z P:y P:z D:xz P:x P:x P:x P:z P:x P:z P:x P:z D:x2-y2 P:z P:x P:y D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">77 88 88 77 6 34 35 43 87 94 30 41 63 2 42 88 78 11 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O W O O O O O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">269</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.89 4.19 3.06 2.92 2.87 2.51 2.50 2.47 2.45 2.36 2.24 2.06 1.77 1.58 1.48 1.47 1.35 1.34 1.31 1.23 1.21 1.20 1.19 1.12 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:x D:xy P:z P:y P:x P:x P:z P:y P:y P:y D:z2 D:x2-y2 P:y P:x P:y P:x P:z P:z P:z P:z P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">30 79 26 19 42 85 84 30 85 35 94 79 3 3 31 55 83 41 53 44 83 95 46 46 34 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W 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">-8.747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">270</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.21 5.86 4.39 3.59 2.47 2.24 2.17 2.01 1.99 1.83 1.73 1.69 1.39 1.39 1.27 1.18 1.17 1.16 1.13 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 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:x D:x2-y2 P:y P:x P:z D:xz P:y P:z P:z P:x P:x P:z P:y D:yz P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">53 46 46 41 18 83 75 52 4 85 95 85 30 43 41 35 1 24 34 84 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O W O O O W O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">271</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.99 3.24 2.38 2.15 2.08 2.07 1.93 1.76 1.66 1.64 1.62 1.43 1.29 1.23 1.09 1.09 1.07 1.06 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:y P:z P:x P:x P:x P:x P:z D:x2-y2 P:z P:x P:y P:x P:y P:y P:y P:z P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">93 64 88 89 86 77 56 8 46 62 65 59 46 88 74 59 63 89 65 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.729</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">272</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.26 2.98 2.07 1.92 1.66 1.62 1.49 1.47 1.43 1.40 1.37 1.28 1.28 1.27 1.26 1.16 1.16 1.14 1.11 1.10 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:z P:z D:z2 P:y P:x P:y P:z P:y P:y P:y P:z P:x P:y D:x2-y2 P:z D:yz P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">85 53 85 94 3 93 83 31 47 34 26 36 30 42 35 18 46 17 57 75 47 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W O O O O O O O O O O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.714</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.55 7.62 6.66 4.42 3.89 3.80 3.46 3.45 2.93 2.61 2.17 1.97 1.92 1.82 1.81 1.80 1.57 1.44 1.42 1.32 1.26 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:y D:z2 D:yz P:z P:y D:z2 P:y D:yz P:y P:z P:z P:y P:x P:y D:yz D:x2-y2 P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">86 88 65 78 6 14 77 77 11 87 10 86 70 87 70 65 67 9 11 66 58 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W W O O W 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">-8.702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">274</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.49 6.69 6.24 6.18 3.63 3.57 3.42 3.37 2.98 2.87 2.81 2.01 1.95 1.71 1.49 1.43 1.39 1.34 1.30 1.27 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">P:z P:z P:y P:y D:yz D:z2 D:yz P:z P:y P:y P:z P:y D:yz P:z P:y D:yz P:z D:z2 P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">78 65 87 86 15 9 10 99 77 67 87 88 14 97 66 9 66 14 65 97 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O W W W O O O O O W O O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">275</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.65 4.37 3.35 3.34 3.22 2.21 1.99 1.96 1.94 1.92 1.90 1.86 1.76 1.75 1.71 1.66 1.65 1.47 1.45 1.42 1.35 1.33 1.28 1.21 1.20 1.16 1.15 1.11 1.10 1.10 1.08 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:z D:xz P:z P:y P:z D:yz P:x D:xz P:y P:y P:x D:xy P:z P:y P:z P:z P:y P:z P:z P:z P:y P:x D:yz P:x P:z P:x P:y D:x2-y2 P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">42 83 16 46 85 33 101 51 1 46 32 50 1 40 44 22 79 50 52 21 31 31 33 100 43 51 36 41 1 84 95 32 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O O O Tc O W O O O W O O O O O O O O O O Tc O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">276</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.92 3.71 3.42 2.88 2.71 2.67 2.02 1.99 1.76 1.71 1.45 1.43 1.31 1.31 1.31 1.28 1.18 1.11 1.06 1.05 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:x P:z P:x P:x P:y P:z P:y P:y P:z P:z P:x P:y D:xy D:x2-y2 P:x D:xz P:y P:x D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">77 93 88 64 54 23 85 77 30 54 60 93 11 6 62 6 53 23 11 92 49</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 W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.673</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">277</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.04 3.28 3.27 2.89 2.88 2.19 2.11 1.95 1.94 1.89 1.83 1.81 1.77 1.72 1.62 1.52 1.49 1.40 1.39 1.39 1.34 1.32 1.29 1.28 1.17 1.17 1.12 1.12 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:z P:x P:x P:x P:z D:xz P:z P:x P:y D:xz P:x P:x P:z D:xz D:xy D:xz P:z P:y P:z P:x P:x P:z D:xy P:x P:z P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 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="30">65 90 86 59 86 57 63 9 90 65 54 13 78 89 64 14 15 10 57 49 23 82 87 59 9 81 56 86 14 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O W O O O W O O O W W W O O O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.661</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">278</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.94 4.90 4.49 4.32 4.24 3.73 3.05 2.94 2.64 2.40 2.14 2.11 2.07 2.07 1.98 1.79 1.58 1.47 1.43 1.40 1.37 1.33 1.30 1.29 1.29 1.27 1.22 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:y D:xy P:x P:y P:x P:x P:y P:z P:y P:z P:y D:yz P:z D:xz D:xy P:y P:y D:yz D:x2-y2 P:z P:y P:y P:z P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">64 13 93 23 54 23 88 93 91 54 61 12 77 8 7 92 62 7 8 88 77 60 96 54 61 92 64 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O W O O O O O O O O O W 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">-8.645</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">279</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.34 5.05 4.32 3.71 3.01 2.51 2.18 2.09 1.76 1.72 1.58 1.55 1.52 1.45 1.24 1.23 1.21 1.19 1.09 1.06 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:x P:y P:x P:z P:y P:x P:x P:z D:xy P:x D:xz P:y P:y D:x2-y2 D:xy P:y P:y P:z P:y D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">46 53 85 30 43 29 30 84 1 27 1 35 79 18 16 54 94 95 30 16 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W O W O O W W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">280</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.13 5.01 4.70 4.56 3.95 3.02 2.98 2.70 2.40 2.04 2.02 1.94 1.85 1.82 1.79 1.52 1.41 1.35 1.34 1.28 1.13 1.12 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:x P:y P:x D:xy P:z P:y P:y P:z D:xy P:y D:yz D:xz P:y D:x2-y2 P:z P:z P:x P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">46 85 30 43 84 53 3 53 79 22 43 17 43 2 18 31 18 36 28 30 84 52 44 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O O O W O W W O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.612</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">281</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.82 5.43 5.37 4.76 4.37 4.02 3.26 3.17 2.08 2.05 1.95 1.57 1.53 1.47 1.47 1.46 1.30 1.21 1.17 1.13 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:z P:y P:y P:x D:z2 D:yz D:z2 P:y P:z P:y P:z P:z D:yz D:yz P:z P:y P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">85 46 41 21 79 47 84 16 4 1 36 84 85 43 53 5 19 50 25 36 47 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W W W O O O O O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">282</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.83 7.74 7.18 5.85 4.65 4.14 3.32 3.06 3.03 2.79 2.76 2.37 1.97 1.80 1.71 1.64 1.55 1.46 1.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:y P:z D:yz P:y P:z P:y D:yz D:z2 D:yz P:y D:z2 P:z P:y P:z P:x P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">21 47 41 79 20 33 50 47 5 19 4 32 4 46 51 21 53 51 32 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W O O O W W W O W O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.585</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">283</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.84 2.73 2.49 2.04 1.94 1.92 1.86 1.83 1.65 1.53 1.47 1.47 1.43 1.43 1.31 1.26 1.22 1.19 1.15 1.13 1.12 1.12 1.09 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:z P:z P:y P:x P:x P:y P:z P:y P:x P:z P:x P:x P:x P:x P:x P:y P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">79 40 41 87 53 78 23 55 54 44 83 42 24 24 83 64 54 46 30 36 30 26 93 85 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.577</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">284</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.94 6.65 5.52 4.70 3.49 2.85 2.71 2.09 1.93 1.86 1.84 1.77 1.31 1.31 1.21 1.13 1.12 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:y P:x P:z P:x P:x P:y P:y P:x P:x P:z P:x P:z P:z P:z P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">78 23 87 64 54 54 65 90 93 86 59 23 59 56 93 73 79 90</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">-8.565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">285</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.73 6.64 5.97 5.94 5.35 4.51 3.53 3.25 2.70 2.49 2.21 2.02 1.89 1.82 1.52 1.49 1.47 1.43 1.22 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:z P:x P:x P:y P:z P:y P:y P:x P:z P:x P:y P:z D:x2-y2 P:z P:y D:z2 P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">86 64 93 65 87 93 78 23 64 54 54 90 13 92 61 8 80 76 59 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.531</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">286</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.41 3.89 2.93 2.71 2.59 2.56 2.36 2.32 2.12 2.06 2.04 2.04 1.94 1.93 1.91 1.75 1.67 1.65 1.63 1.63 1.60 1.57 1.38 1.33 1.24 1.22 1.16 1.14 1.09 1.06 1.06 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:x P:x P:x P:x P:z P:x D:xz P:z P:y D:xz P:x P:x P:y P:y P:x P:z P:y P:z D:xy P:x D:xy P:z P:z D:xz P:z P:z P:x P:z D:xz P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">26 75 24 41 41 55 20 95 79 19 21 47 43 35 79 75 42 83 5 94 4 21 34 4 24 84 32 30 3 94 26 51 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O W O O W O O O O O O O O W O W O O W O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">287</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.98 8.13 4.64 4.33 4.11 4.06 3.91 3.74 3.30 3.21 1.66 1.61 1.58 1.39 1.37 1.37 1.07 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:x P:x P:z P:x P:y P:x P:y P:x P:x P:y P:z P:x P:x P:z P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">21 47 30 53 41 84 79 43 43 75 26 53 75 40 44 84 47 38 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.487</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">288</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.70 6.29 5.45 5.16 4.24 3.84 3.43 2.40 2.38 2.30 2.10 2.03 1.81 1.79 1.78 1.73 1.50 1.29 1.28 1.20 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:y P:x P:z P:x P:y P:y P:y P:x P:z P:z P:y D:z2 D:x2-y2 P:y P:z P:z P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">30 79 84 41 53 47 53 28 43 21 22 43 18 3 26 84 75 30 79 48 95</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 O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.464</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">289</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.52 5.31 5.25 4.09 3.18 2.75 2.59 2.42 2.12 2.07 1.81 1.75 1.47 1.39 1.28 1.26 1.26 1.19 1.13 1.08 1.03 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:x P:z P:x P:y P:z D:x2-y2 P:y D:z2 P:x P:x P:x P:z P:x P:x P:z P:y P:x P:x P:z P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.00 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">38 38 95 23 35 34 103 38 103 54 86 26 87 24 75 41 94 55 65 30 55 14 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O Tc O Tc O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.98 5.46 5.41 3.01 2.75 2.71 2.71 2.55 2.33 2.29 2.23 2.05 1.75 1.68 1.67 1.65 1.64 1.60 1.21 1.18 1.15 1.12 1.11 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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:y P:y P:x P:y P:z P:x P:z D:xy S P:x P:z P:y P:x P:y P:z P:z P:x P:z P:y P:x P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054</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 1.00 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">72 71 78 80 69 88 54 76 93 93 77 102 102 73 86 77 23 81 68 72 89 56 54 57 87 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O Tc Tc O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.377</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">291</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">12.87 4.23 4.05 3.12 2.07 1.97 1.83 1.70 1.56 1.35 1.30 1.22 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:y P:z P:z P:x D:z2 D:xy P:y P:y D:xy P:x P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.00 1.00 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="14">38 87 38 64 103 101 78 35 103 47 53 54 79 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O Tc Tc 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">-8.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">292</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.65 4.16 3.74 3.10 3.06 2.60 2.51 2.37 2.35 2.24 2.10 1.95 1.81 1.75 1.74 1.66 1.57 1.45 1.38 1.32 1.31 1.16 1.13 1.06 1.05 1.04 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:y P:z P:z P:x P:z P:y P:x P:y P:z P:x P:y P:x P:z D:yz P:z P:x P:y P:z D:z2 P:y P:y D:xy D:xy P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">58 99 58 67 67 86 65 97 66 91 65 96 99 92 10 97 66 49 61 9 61 87 14 9 23 56 63 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O W O O 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">-8.332</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">293</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.39 9.20 7.21 6.60 6.37 4.56 3.84 3.26 3.13 2.81 2.00 1.92 1.66 1.59 1.47 1.19 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:z P:z P:z P:y P:y P:z D:yz D:yz D:z2 P:y D:yz D:z2 P:x D:z2 P:y D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">87 78 88 65 86 77 77 10 15 6 38 14 11 77 9 88 9 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O W W W O W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.294</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">294</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.87 8.33 7.61 7.44 6.53 5.95 5.82 3.60 3.19 2.60 2.54 2.50 2.19 2.11 1.79 1.56 1.54 1.53 1.52 1.40 1.38 1.35 1.16 1.16 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:x P:y P:x P:x P:z P:z P:x D:xy P:y D:xy D:yz D:xy D:x2-y2 P:z D:x2-y2 D:x2-y2 D:yz P:y D:xz D:xz P:y D:xz D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">23 88 64 77 54 93 54 23 13 93 7 12 11 12 64 8 7 7 60 8 6 77 11 6 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W O W W W W O W W W O W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">295</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.91 4.78 4.78 4.53 4.31 3.52 2.77 2.22 2.08 2.03 1.93 1.67 1.60 1.55 1.33 1.30 1.12 1.10 1.08 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:x P:x P:y P:x P:x P:x P:y P:y P:z P:x P:y P:z P:y P:x P:x P:z S P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">39 53 48 39 30 98 45 46 43 84 85 45 43 85 79 41 46 100 94 37</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 Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">296</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.31 3.80 3.12 3.00 2.75 2.74 2.41 2.04 1.80 1.63 1.62 1.60 1.56 1.45 1.44 1.36 1.35 1.30 1.30 1.23 1.14 1.14 1.14 1.08 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:z P:z P:z P:x P:z P:x P:x P:y P:z P:x P:x P:y P:y P:x P:z P:y P:y D:x2-y2 D:yz P:y P:z D:xy P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">46 85 46 47 85 84 79 33 50 25 31 43 32 50 84 51 33 53 52 19 17 41 39 20 21 87 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 O O O O O W W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">297</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.39 2.95 2.87 2.72 2.67 2.32 1.95 1.74 1.70 1.69 1.62 1.61 1.60 1.53 1.52 1.47 1.44 1.42 1.41 1.16 1.15 1.15 1.11 1.11 1.05 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:x P:y P:z P:y P:z P:x P:z P:x P:y P:y P:z P:y P:y P:z P:x P:y P:x D:yz P:z P:x P:x P:x P:z P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="27">64 76 80 88 21 93 77 43 45 46 86 86 65 87 80 85 76 102 65 46 37 85 84 86 21 39 72</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 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">-8.251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">298</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.41 7.02 6.75 5.09 4.84 4.70 4.15 3.27 2.48 2.30 2.27 2.00 1.76 1.72 1.68 1.58 1.54 1.50 1.35 1.24 1.19 1.15 1.11 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:x P:x P:z P:x D:xy P:x P:y D:xy P:y D:yz P:y D:x2-y2 P:z D:xz D:xy D:x2-y2 D:xz P:y P:x D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">30 84 53 46 43 43 85 3 84 85 17 27 2 53 2 27 18 1 17 16 52 33 2 28 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W O O W O W O W O 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">-8.241</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">299</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">11.37 5.02 4.38 3.53 3.02 2.98 2.66 2.61 2.32 2.22 2.17 1.97 1.60 1.53 1.36 1.33 1.27 1.27 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:z P:x P:x P:y P:z P:x P:x P:y P:y P:z P:z P:y P:z P:z P:z D:xz P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">87 93 80 78 71 65 78 73 76 88 38 58 23 21 73 10 93 64 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.229</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">300</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.81 5.60 3.63 3.31 3.25 2.80 2.65 2.56 2.29 1.97 1.91 1.72 1.65 1.48 1.31 1.29 1.19 1.09 1.08 1.06 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:x P:y P:x P:y P:y P:z P:z P:z P:y P:y P:x P:y P:x D:yz P:y P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">73 78 64 21 76 71 85 86 54 23 87 77 86 38 78 20 73 21 79 25 76 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.227</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">301</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.63 5.49 4.88 4.17 3.34 3.26 3.22 3.08 2.89 2.79 2.58 2.36 2.08 2.00 1.97 1.89 1.88 1.83 1.79 1.72 1.62 1.51 1.47</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 D:yz P:y P:z P:y P:z P:y P:y P:z D:z2 P:y D:z2 P:z P:z P:z D:yz D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">47 46 21 41 20 5 25 25 79 79 50 85 41 19 32 1 85 33 51 4 16 78 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W W O O O O O O O W O 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">-8.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">302</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.36 4.40 4.28 3.88 3.04 3.00 2.92 2.77 2.61 2.16 1.87 1.86 1.61 1.60 1.56 1.35 1.26 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:y P:y P:x P:y P:z P:x P:z P:y P:z P:y P:z P:z P:x P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">54 73 65 23 23 23 80 86 47 54 60 73 21 76 76 60 80 80</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">-8.155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">303</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">12.59 5.43 4.76 4.54 3.95 3.68 3.54 2.46 2.32 2.30 2.01 1.99 1.88 1.86 1.77 1.61 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:x P:z P:y P:z P:y P:x P:y P:z P:z P:x P:x P:x P:y D:xy D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 10.371 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">37 47 21 48 45 41 79 38 46 85 79 43 39 84 41 5 106 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O W P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">304</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.14 4.11 3.81 3.67 3.51 3.05 2.54 2.43 2.10 2.04 1.91 1.88 1.63 1.49 1.38 1.38 1.33 1.30 1.23 1.22 1.22 1.11 1.09 1.06 1.06 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:z P:y P:z P:y P:y P:y P:y P:y P:z P:y P:z P:z P:x P:y D:xy P:x P:y P:z P:x P:x P:z P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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="27">97 66 67 47 21 70 99 86 58 82 70 88 74 58 92 37 10 99 64 77 30 45 65 60 37 65 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">305</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.33 4.72 4.16 3.62 3.45 2.60 2.60 2.42 2.28 2.16 2.08 1.89 1.81 1.76 1.62 1.56 1.56 1.48 1.21 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:z P:y P:z P:y P:x P:x P:y P:x P:z P:z P:y P:z P:x P:y P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">79 41 43 21 39 84 45 47 48 43 39 84 37 30 37 43 84 45 97 48</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">-8.096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">306</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.32 5.29 3.92 2.32 2.28 2.25 2.10 1.99 1.98 1.93 1.91 1.75 1.71 1.67 1.61 1.58 1.53 1.49 1.47 1.40 1.39 1.39 1.37 1.37 1.10 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:z P:y P:z P:z P:x P:z P:x P:z P:y P:x P:x P:z P:y P:z P:y P:z P:z P:z P:y P:x P:z P:z P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">84 41 21 41 38 45 30 84 53 39 47 48 43 47 79 79 46 23 48 42 45 39 37 85 45 46 30 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">-8.081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">307</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.12 3.74 3.31 2.99 2.69 2.36 2.27 2.25 2.09 2.03 2.00 1.97 1.90 1.86 1.81 1.71 1.70 1.64 1.56 1.52 1.45 1.33 1.32 1.25 1.24 1.22 1.12 1.06 1.06 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y P:y P:z P:y P:z P:y P:y P:y P:y P:y P:z P:y P:y P:y P:x P:z P:z P:y P:y P:y P:z P:y P:x P:z P:x P:x P:y P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">38 47 43 51 84 33 39 85 44 21 32 43 27 54 50 22 27 40 25 48 79 79 65 50 25 31 28 36 37 52 38 73</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">-8.047</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">308</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.94 6.91 4.82 3.58 3.00 2.86 2.83 2.70 2.65 2.63 2.43 2.03 1.83 1.82 1.80 1.78 1.75 1.36 1.22 1.20 1.19 1.18 1.14 1.10 1.10 1.08 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz P:x P:x P:y P:z P:z P:x P:z P:z P:y P:x P:x P:x P:x P:x P:y P:x P:x P:y P:y P:y D:xy P:z P:y P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">102 58 72 89 57 62 78 90 74 59 80 64 70 93 87 82 76 73 76 68 88 10 63 93 77 92 62 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc O O O O O O O O O O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.22 3.70 3.49 2.80 2.75 2.54 2.51 2.40 2.20 2.16 2.07 1.94 1.90 1.89 1.81 1.71 1.55 1.44 1.38 1.30 1.29 1.28 1.23 1.23 1.21 1.17 1.14 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:z P:y P:z P:y P:y P:z P:z P:z P:y P:y P:z P:x P:y P:z P:y P:y P:y P:x P:z P:y P:z P:y P:y P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">46 41 85 47 51 30 45 79 48 53 37 32 33 22 48 21 36 39 43 28 37 53 36 84 79 50 43 79 27</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">-8.006</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">310</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.21 7.97 6.30 6.16 5.38 4.68 3.74 3.00 2.52 2.46 2.25 2.22 1.81 1.74 1.68 1.56 1.38 1.34 1.22 1.22 1.17 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:x P:x P:x P:y P:x P:y P:z P:y P:z P:y P:y P:z P:z P:x P:y P:z P:y P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">91 92 61 60 96 62 60 61 96 82 56 62 69 69 91 81 68 74 97 61 96 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.964</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">311</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.13 7.04 4.70 4.23 3.68 3.64 3.56 2.33 2.15 1.89 1.73 1.68 1.58 1.50 1.48 1.46 1.43 1.40 1.22 1.13 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x D:xy P:z P:x P:x P:z P:y P:x P:x P:y P:y P:z P:y P:x P:y P:y P:x P:x P:x P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</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 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">72 102 72 78 71 80 73 23 54 71 54 77 93 74 78 77 73 70 58 87 102 68</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 Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.950</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">312</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.25 7.00 5.10 4.80 4.01 3.66 3.52 3.25 3.10 3.03 2.74 2.69 2.25 2.08 1.89 1.80 1.76 1.69 1.50 1.45 1.25 1.23 1.08 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:x P:x P:y P:y P:y P:y P:z P:z P:y P:z P:z P:z P:z P:x P:y D:xy P:z P:y P:z P:z D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">22 31 52 28 27 29 44 28 27 40 95 29 52 51 35 35 32 20 33 34 94 22 5 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.917</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">313</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.07 4.78 4.22 4.15 3.94 3.74 3.39 2.75 2.65 2.56 2.54 2.25 2.11 2.11 1.91 1.90 1.52 1.51 1.43 1.33 1.24 1.13 1.07 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:z P:x D:z2 D:xz P:z P:y 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:z P:z P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">87 64 72 82 102 102 80 76 59 72 71 68 89 56 88 77 68 49 89 71 76 78 65 72 88 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O Tc Tc O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">314</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.08 7.71 3.91 3.90 3.73 3.59 3.32 3.00 2.67 2.35 2.33 2.04 1.75 1.57 1.41 1.36 1.34 1.26 1.14 1.11 1.08 1.04 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:yz P:x P:y P:z P:y P:x P:z P:y P:z P:z P:y P:z D:xy P:y P:z D:xy P:x P:x P:y P:x D:yz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">101 25 55 75 26 36 24 44 40 29 34 94 101 29 83 20 98 32 42 51 100 45 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc O O O O O O O O O O O Tc O O W O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">315</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.28 5.78 4.40 4.09 3.70 3.53 3.34 3.18 3.12 3.07 1.94 1.93 1.86 1.71 1.69 1.69 1.57 1.43 1.40 1.26 1.23 1.22 1.12 1.11 1.09 1.05 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">P:x P:y P:z P:y P:y P:x P:y P:x P:z P:x P:x P:z P:y P:x P:x P:z P:y P:x P:x D:xz P:x P:y P:x D:z2 P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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="28">90 81 68 69 74 74 63 57 82 59 63 56 92 81 49 62 62 82 89 102 93 78 97 102 88 70 88 60</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 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">-7.855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">316</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.10 3.75 3.35 3.16 3.13 3.11 3.06 2.70 2.65 2.63 2.61 2.54 2.45 2.28 2.09 2.09 2.05 1.80 1.60 1.59 1.47 1.39 1.35 1.32 1.26 1.24 1.24 1.23 1.10 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:y P:x P:y P:y P:z P:z P:z P:y P:z P:z P:x P:y P:y P:z P:x P:z P:z P:x P:x P:y P:x P:x P:y P:y P:y P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">62 60 57 74 97 67 66 59 89 90 99 92 68 91 61 70 82 58 49 56 96 58 61 81 69 70 81 96 96 56 63</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">-7.799</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">317</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.57 4.55 3.66 3.64 3.57 3.35 3.09 2.98 2.98 2.81 2.30 2.13 2.01 1.56 1.52 1.51 1.51 1.50 1.41 1.38 1.36 1.35 1.33 1.32 1.31 1.31 1.23 1.07 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:z P:z P:y P:y P:z P:x P:x P:y P:x P:z P:x P:x P:y P:x P:y D:xy P:z P:z P:z P:z D:xz P:y P:z P:z D:z2 P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">82 68 69 56 81 82 74 66 74 89 56 97 57 99 59 69 102 63 67 61 57 102 49 90 97 12 80 49 8</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 Tc O O O O Tc O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">318</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.38 3.78 3.69 3.57 3.42 2.86 2.85 2.77 2.36 2.35 2.22 2.19 2.12 1.99 1.88 1.84 1.63 1.51 1.47 1.45 1.45 1.44 1.40 1.38 1.34 1.34 1.31 1.29 1.25 1.22 1.18 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:y P:x P:z P:x P:z P:y P:x P:x P:z P:x P:x P:z P:y P:y P:x P:x P:x P:x P:y P:z P:x P:y P:x P:z P:y P:x P:z P:x P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">98 40 75 34 26 44 94 42 55 95 24 30 29 29 22 83 53 48 35 83 28 45 47 44 21 35 94 98 46 27 85 33 37</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">-7.753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">319</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">3.97 3.72 3.58 3.37 2.95 2.82 2.67 2.42 2.39 2.37 2.36 2.24 2.21 2.17 2.08 2.07 1.94 1.81 1.63 1.47 1.40 1.32 1.29 1.28 1.27 1.26 1.23 1.17 1.16 1.16 1.15 1.14 1.14 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x P:z P:y P:z P:y P:y P:z P:z P:x P:z P:x P:y P:y P:x P:y P:z P:z P:y P:x P:y P:y P:x P:z D:yz P:z P:z P:z P:x P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="35">29 27 26 75 32 51 33 55 50 34 22 44 24 28 40 31 36 25 94 52 36 25 42 41 101 31 52 35 83 95 28 94 98 84 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O Tc O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.717</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">320</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.02 5.07 4.50 4.45 4.29 4.05 3.67 3.38 2.94 2.77 2.76 2.23 2.08 1.84 1.78 1.57 1.44 1.39 1.34 1.28 1.25 1.23 1.22 1.16 1.16 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:y P:z P:x P:z P:x P:x P:z P:x P:y P:x P:x P:y P:z P:y D:z2 P:x P:z P:x P:z P:y P:z P:x D:z2 P:y P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">95 35 44 34 32 55 95 40 94 51 24 40 44 35 2 42 83 26 75 50 28 35 18 26 98 33 51 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O W O O O O O O O W 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">321</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">12.72 5.25 3.45 2.49 2.42 2.10 1.59 1.52 1.49 1.43 1.40 1.37 1.29 1.24 1.22 1.22 1.16 1.11 1.10 1.04 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:x P:y P:y P:z P:x P:x P:y P:y P:x P:x P:y P:z P:z D:yz P:x P:x P:y P:x D:xy P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">98 98 63 68 35 95 40 94 83 45 50 90 90 26 34 100 42 45 74 99 100 66 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 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">-7.638</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">322</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.27 5.09 4.53 4.41 4.14 3.69 2.85 2.61 2.45 2.29 1.95 1.80 1.55 1.48 1.32 1.31 1.30 1.29 1.28 1.10 1.10 1.09 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:y P:x P:x P:x P:z P:z P:x P:y P:x P:z D:z2 D:yz 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="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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="23">98 63 81 68 49 90 59 59 98 67 49 99 68 8 13 69 56 90 97 95 91 81 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">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">-7.631</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">323</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.38 3.14 2.71 2.70 2.39 2.31 2.09 1.77 1.67 1.64 1.60 1.46 1.45 1.42 1.37 1.35 1.24 1.21 1.15 1.09 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">P:x P:x P:z P:x P:z P:z D:z2 D:xz P:x P:y P:z P:x D:z2 P:x D:x2-y2 P:x P:y P:x P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.00 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="22">21 86 23 34 44 30 101 101 47 56 49 98 103 33 103 49 53 97 98 48 66 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O Tc 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">-7.590</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="23">9.88 2.98 2.67 2.17 2.03 1.80 1.66 1.38 1.37 1.37 1.34 1.31 1.31 1.31 1.24 1.21 1.20 1.16 1.12 1.11 1.04 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:y P:z P:y P:y P:y D:xy P:z P:y P:z P:z P:x P:x P:y P:x P:x P:x P:y P:z P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">98 45 48 94 40 49 101 64 75 69 81 94 34 35 48 83 35 85 42 75 76 72 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O Tc O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.538</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="26">5.34 4.59 4.03 3.09 2.21 2.15 2.06 1.83 1.82 1.80 1.73 1.68 1.60 1.47 1.46 1.39 1.32 1.29 1.29 1.26 1.23 1.20 1.07 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:x P:x P:x P:x P:x P:x P:z P:y P:x P:x P:y P:y P:z P:y P:z P:x P:z D:x2-y2 P:z P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">34 83 75 98 50 21 42 72 94 94 32 26 35 75 30 40 64 44 24 102 31 76 26 49 81 93</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 Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">326</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.73 2.79 2.47 2.27 2.13 2.01 1.93 1.92 1.82 1.66 1.66 1.61 1.61 1.57 1.48 1.47 1.47 1.43 1.22 1.15 1.12 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:z P:y P:x P:x P:x P:x P:x P:z P:x P:x P:x P:y P:y P:z P:x P:y P:x D:xy P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">94 42 40 33 75 42 26 63 47 51 72 93 35 54 78 45 69 101 81 89 91 53</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">-7.469</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="26">4.14 3.75 3.12 3.11 2.79 2.68 2.57 2.11 2.05 1.83 1.83 1.74 1.70 1.70 1.51 1.48 1.40 1.38 1.37 1.36 1.32 1.25 1.22 1.19 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:y P:y P:z D:xz P:y P:z P:x D:xz P:z D:xy P:x D:xy P:y P:x P:z P:y P:z P:y D:xy D:xy P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">63 89 49 59 74 11 63 57 69 6 91 6 67 14 69 97 69 56 81 97 10 11 82 92 63 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O O O W O W O W O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.465</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="28">4.55 3.02 2.87 2.82 2.73 2.39 2.34 2.27 2.24 2.12 1.84 1.83 1.79 1.72 1.57 1.46 1.44 1.43 1.42 1.37 1.36 1.33 1.16 1.16 1.14 1.12 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:y P:x P:z P:x P:z P:y P:x P:x P:y P:y P:y P:z P:y P:z P:y P:x P:x P:y P:z P:z P:y D:x2-y2 P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">71 66 49 99 90 88 73 74 58 77 68 82 61 49 56 56 76 78 57 73 71 57 70 102 54 76 96 87</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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.410</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">329</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.53 2.91 2.82 2.66 2.14 1.83 1.75 1.72 1.68 1.61 1.40 1.30 1.27 1.24 1.24 1.22 1.11 1.08 1.07 1.07 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:x P:x P:y P:y P:z P:x D:z2 P:x P:z P:z P:x P:x P:y P:x P:x P:z P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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="23">48 83 45 84 42 55 73 95 100 76 31 22 71 35 53 21 98 40 43 51 26 39 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">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">-7.380</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="25">3.05 2.33 2.17 2.04 2.02 1.87 1.87 1.81 1.57 1.51 1.49 1.49 1.34 1.30 1.29 1.28 1.26 1.25 1.18 1.12 1.12 1.11 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:z P:y P:z P:x P:x P:y P:y P:z P:x P:y P:x P:x P:z P:z P:y D:x2-y2 P:y P:x D:xy P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">43 44 52 42 24 32 69 52 39 75 41 95 51 48 27 42 29 103 34 58 101 27 56 85 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O Tc O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.352</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="26">3.06 2.88 2.58 2.57 2.29 2.20 2.18 2.12 2.09 1.91 1.89 1.75 1.74 1.69 1.64 1.62 1.50 1.48 1.41 1.39 1.38 1.28 1.18 1.13 1.05 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:y P:z D:xz P:y P:x P:z P:y P:z P:z P:y P:z D:xz P:x P:z D:xy P:z P:y P:y D:xy P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">42 55 42 73 45 95 1 83 76 83 26 24 75 95 40 16 48 35 4 31 44 35 16 48 34 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O O O O O O O O W O O W O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.327</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="26">4.10 3.22 3.21 2.77 2.53 2.52 2.12 2.05 1.93 1.92 1.79 1.79 1.69 1.62 1.56 1.55 1.48 1.24 1.20 1.15 1.08 1.06 1.06 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:y P:x P:x P:y P:y P:z P:x P:x P:x P:z P:z P:y P:y P:x P:x P:z P:y P:y P:y P:y P:z D:x2-y2 P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">72 73 80 70 23 91 69 74 98 37 72 71 92 71 68 60 39 49 65 93 64 80 102 57 54 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 O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.318</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="25">5.35 4.25 3.61 3.25 2.93 2.81 2.46 2.12 2.02 1.97 1.76 1.73 1.62 1.59 1.29 1.24 1.20 1.16 1.16 1.12 1.09 1.08 1.05 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x D:yz D:yz P:z P:y P:y P:x P:x P:x P:z P:x P:x P:x P:y P:z P:y P:z D:xy D:x2-y2 P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">37 70 98 103 102 39 39 56 85 99 46 61 67 60 58 49 60 37 69 103 103 63 97 96 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O Tc Tc O O O O O O O O O O O O O O Tc Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.298</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="23">5.36 3.61 3.59 2.67 2.49 2.42 2.09 2.06 2.03 1.84 1.66 1.60 1.43 1.37 1.34 1.30 1.25 1.22 1.20 1.12 1.10 1.09 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:x P:x P:y P:x P:z P:z P:z P:y P:x P:x P:z P:y P:z P:y P:x D:yz P:y P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">73 71 37 80 64 98 71 80 39 23 47 46 63 65 72 54 97 103 78 93 60 45 97</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 Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.292</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="20">6.39 3.67 2.59 2.05 1.92 1.85 1.84 1.59 1.56 1.54 1.52 1.49 1.49 1.36 1.26 1.22 1.11 1.09 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:x P:x P:x P:x P:y P:y P:z P:z P:y P:z P:y P:z P:x P:x P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">73 76 48 65 21 39 37 66 48 84 38 79 88 72 45 23 80 98 71 44</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">-7.228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.36 6.19 5.59 3.18 2.45 2.10 2.05 1.90 1.84 1.69 1.66 1.60 1.45 1.33 1.31 1.31 1.31 1.31 1.22 1.16 1.14 1.09 1.09 1.08 1.06 1.05 1.03 1.03 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:x P:y P:z P:x P:z P:z P:y P:z P:z P:y P:x P:x P:y P:z P:y D:xy P:z P:z P:y P:z P:z P:y P:z P:z D:xz P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">72 71 93 81 96 80 76 92 71 92 80 71 74 89 58 102 37 87 64 99 60 37 54 58 102 63 77 93 73 73</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 Tc O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.02 7.21 5.87 5.56 4.98 4.80 3.55 3.44 2.73 2.49 1.90 1.84 1.81 1.72 1.59 1.50 1.48 1.45 1.22 1.20 1.19 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:y P:z P:z P:y P:x P:x P:y P:x P:z P:y P:x P:x P:y P:x P:y P:y P:y P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">66 97 67 58 99 58 56 60 91 69 70 61 62 96 92 61 66 60 70 58 61 91 92</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">-7.165</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="27">3.98 2.99 2.65 2.52 2.51 2.41 2.28 2.24 2.12 1.92 1.57 1.49 1.46 1.38 1.35 1.34 1.32 1.29 1.29 1.26 1.15 1.12 1.12 1.09 1.09 1.05 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:z P:z P:z P:y P:y P:y P:x P:x P:x P:z P:x P:x P:z P:x P:y P:z P:y P:z P:y P:y P:z P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">37 53 37 49 97 73 30 34 65 86 66 95 94 63 81 71 48 80 73 63 31 39 47 41 93 42 98</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">-7.151</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="27">6.64 4.00 3.07 2.97 2.61 2.43 2.39 2.28 2.26 2.19 2.13 1.95 1.80 1.72 1.66 1.61 1.57 1.49 1.39 1.31 1.28 1.28 1.27 1.18 1.13 1.10 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:z P:x P:z P:x P:y P:y P:y D:yz P:z P:z P:z P:x P:x P:z P:y D:yz P:x P:z P:y P:y P:x P:x P:y P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">32 27 35 95 51 33 42 100 39 25 52 50 36 84 25 101 51 83 31 36 35 43 95 22 98 29 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O Tc 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">-7.136</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="28">4.37 4.19 3.46 2.64 2.29 2.17 1.98 1.95 1.76 1.73 1.67 1.66 1.66 1.62 1.51 1.47 1.41 1.30 1.28 1.26 1.25 1.25 1.23 1.21 1.18 1.13 1.10 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:x P:z D:yz P:x P:y P:y P:z P:y P:y P:x P:x P:y D:yz P:x P:z P:x P:x P:z D:x2-y2 P:x P:x P:x D:z2 P:y D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 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="28">36 81 28 101 25 22 74 42 57 95 69 61 90 100 95 35 52 35 69 100 31 50 74 100 61 101 31 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O Tc O O O O O O O O O Tc O O O O O Tc 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">-7.122</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="22">4.28 3.34 3.28 3.04 2.94 2.43 2.33 2.23 2.03 2.02 1.91 1.60 1.59 1.48 1.47 1.42 1.42 1.29 1.21 1.14 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:x P:x P:x P:x P:x P:z P:x P:z P:z P:y P:x P:x P:x P:y P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">90 74 22 81 56 68 74 59 53 69 59 66 37 90 35 52 57 34 25 63 82 69</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">-7.111</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="23">6.20 5.90 3.28 3.01 2.97 2.94 2.50 2.39 2.22 2.01 2.00 1.98 1.75 1.54 1.48 1.44 1.43 1.42 1.17 1.07 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:x P:x P:x P:y P:x P:y P:z P:z P:y P:x P:y P:z P:z P:y P:x P:x P:x P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">68 82 56 81 61 97 62 93 92 59 92 95 91 89 49 61 59 92 36 96 74 66 89</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">-7.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">343</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.99 3.30 2.79 2.62 2.47 2.45 2.32 2.18 2.03 1.99 1.97 1.92 1.90 1.87 1.85 1.83 1.68 1.63 1.55 1.53 1.46 1.33 1.30 1.26 1.22 1.14 1.09 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:y P:x P:x P:z P:z P:z P:z P:y P:z P:x P:z P:z P:z P:y P:y P:x P:y P:x D:z2 P:x P:z P:y P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 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="29">28 31 28 41 95 39 50 25 98 25 82 29 22 42 37 51 24 68 27 27 100 45 84 53 44 59 52 28 27</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 Tc O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.042</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="22">10.42 8.19 4.11 3.89 2.49 2.25 2.02 1.98 1.95 1.90 1.70 1.54 1.51 1.49 1.41 1.40 1.38 1.35 1.17 1.16 1.13 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:z P:x P:z P:z P:y P:z P:z P:x P:z P:y P:x P:x P:z P:y P:x P:y P:x P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">51 44 34 42 50 42 26 79 26 55 39 95 79 83 83 21 48 75 45 85 55 44</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">-7.029</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="29">4.56 3.31 2.59 2.47 2.23 2.12 1.99 1.94 1.93 1.81 1.75 1.63 1.57 1.51 1.46 1.44 1.42 1.40 1.37 1.35 1.26 1.23 1.22 1.21 1.17 1.07 1.05 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:x P:x P:y P:z P:y P:x P:z P:x P:x P:y P:x P:x P:z P:y P:x P:x P:x P:z P:x P:x P:x P:y P:z P:x P:x P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">56 34 75 32 40 70 23 78 76 74 73 95 26 83 67 40 80 83 26 65 94 22 61 58 99 63 72 41 95</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">-7.011</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="18">6.20 5.29 4.98 3.41 2.65 2.60 2.10 1.94 1.85 1.77 1.77 1.75 1.33 1.12 1.10 1.10 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:y P:x P:y P:x P:x P:y P:z P:z P:z P:x P:x P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">94 40 75 35 51 40 86 24 32 49 30 47 33 94 63 98 32 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.982</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="23">8.52 6.13 4.70 4.34 4.11 3.90 3.71 3.11 2.96 2.95 2.63 2.60 2.43 2.40 2.39 2.24 2.13 2.09 2.00 1.30 1.30 1.27 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:y P:z P:z P:z P:y P:z P:x P:y P:z P:x P:x P:x P:x P:x P:y P:x D:x2-y2 P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">35 39 32 43 35 43 44 79 35 26 34 21 50 48 36 83 98 100 41 33 33 25 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.964</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="26">5.61 3.21 2.97 2.74 2.62 2.58 2.52 2.27 2.21 2.15 2.00 1.93 1.92 1.76 1.65 1.63 1.60 1.55 1.54 1.45 1.39 1.33 1.29 1.17 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">P:x P:z P:y P:z P:y P:y P:x P:z P:z P:z P:y P:z P:z P:z P:z P:x P:z P:z P:x P:z P:y P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">60 80 63 76 90 58 34 54 49 57 92 71 58 81 38 63 66 64 69 62 96 91 59 93 38 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.954</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="30">5.24 3.30 3.14 2.74 2.70 2.59 2.27 2.25 2.10 2.03 2.01 1.87 1.83 1.76 1.62 1.62 1.55 1.53 1.42 1.36 1.31 1.30 1.21 1.16 1.11 1.07 1.05 1.04 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:y P:y P:y P:z P:y P:y P:x P:y P:z P:y P:z P:z P:z P:z P:x P:y P:y P:y P:x P:z P:x P:x P:x P:y P:x P:y P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">76 97 38 66 93 68 56 89 92 80 81 49 82 80 69 23 87 86 61 69 93 99 60 57 74 49 91 67 94 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.901</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="28">3.45 3.32 2.91 2.86 2.26 2.18 2.12 2.11 2.02 1.99 1.91 1.82 1.72 1.72 1.62 1.52 1.32 1.26 1.21 1.15 1.14 1.09 1.08 1.06 1.06 1.06 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:z P:z P:z P:x P:z P:z P:x P:y P:y P:x P:x P:z P:x P:y P:z P:y P:y P:x P:y P:z P:z P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">86 87 38 49 78 27 58 94 38 23 58 60 34 63 62 75 54 60 52 36 49 26 31 51 60 66 65 41</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">-6.877</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="27">6.15 5.70 3.45 2.89 2.83 2.76 2.69 2.67 2.59 2.51 2.25 2.23 2.21 2.15 2.07 1.86 1.79 1.73 1.64 1.58 1.51 1.46 1.42 1.36 1.34 1.08 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:x P:z P:y P:x P:x P:z P:x P:y P:y P:z P:x P:x P:x P:y P:y P:x P:y P:x P:y P:y P:z P:y P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">42 95 28 83 27 41 83 26 53 45 29 25 28 75 29 55 48 22 79 84 37 31 48 35 33 30 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.848</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="31">3.24 3.07 2.74 2.33 2.23 2.23 2.20 2.16 2.16 2.09 1.98 1.85 1.79 1.79 1.67 1.66 1.50 1.45 1.39 1.33 1.29 1.24 1.21 1.15 1.12 1.12 1.10 1.09 1.08 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z P:z P:y P:y P:x P:x P:z P:z P:x P:y P:y P:z P:y P:z P:x P:z P:x P:z P:x P:y P:z P:x P:x P:y P:y P:y P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">83 30 48 38 22 77 88 78 92 79 68 93 64 61 81 69 44 61 22 56 67 54 98 40 92 45 34 87 82 93 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 O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.833</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="32">3.51 3.40 2.69 2.55 2.38 2.38 2.15 2.04 2.00 1.99 1.97 1.95 1.94 1.93 1.90 1.86 1.77 1.52 1.51 1.49 1.48 1.41 1.36 1.30 1.29 1.27 1.22 1.18 1.17 1.17 1.16 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:x P:x P:y P:y 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:x P:z P:z P:z P:y P:x P:x P:x P:z P:x P:x P:y P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">27 34 27 63 43 65 25 32 30 84 47 83 21 87 29 28 38 63 25 24 97 28 65 36 38 41 47 38 94 43 27 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.830</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">5.50 4.49 3.12 2.94 2.74 1.99 1.78 1.76 1.70 1.67 1.67 1.58 1.50 1.43 1.30 1.19 1.16 1.10 1.08 1.07 1.05 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:z P:y P:y P:z P:x P:y P:z P:x P:y P:z P:y P:z P:y P:y P:z P:y P:y P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">49 86 66 97 86 22 88 63 78 79 83 65 61 69 34 42 92 22 67 61 84 63 29 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.824</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">355</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.49 4.61 4.50 4.19 3.73 3.68 3.19 3.06 3.04 2.94 2.89 2.68 2.62 2.56 2.27 2.22 1.91 1.90 1.60 1.54 1.54 1.44 1.36 1.27 1.26 1.22 1.21 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z P:z P:y P:x P:x P:y P:z P:z P:y P:z P:z P:y P:x P:y P:y P:x P:z P:x P:x P:y P:z P:z P:y P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">77 99 88 67 96 54 56 77 23 96 91 69 91 23 88 87 77 78 88 97 54 96 74 97 82 66 86 65 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.66 4.14 3.90 3.69 3.63 3.26 3.24 3.15 3.11 3.05 2.98 2.78 2.73 2.52 2.37 2.11 1.76 1.66 1.56 1.47 1.46 1.42 1.26 1.25 1.18 1.09 1.08 1.06 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:z P:z P:x P:y P:y P:x P:x P:z P:x P:z P:z P:y P:z P:y P:y P:x P:x P:z P:x P:z P:y P:y P:z P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">91 67 88 64 77 62 77 88 62 96 70 99 62 88 66 92 93 96 65 60 86 77 70 60 69 97 90 58 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">-6.754</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="29">6.15 5.16 5.15 4.87 4.27 4.18 4.10 3.01 2.98 2.81 2.79 2.54 2.26 2.22 2.04 2.02 2.02 1.86 1.79 1.75 1.75 1.53 1.44 1.44 1.40 1.17 1.12 1.09 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:y P:y P:y P:x P:z P:z P:z P:y P:x P:y P:y P:z P:y P:z P:y P:y P:y P:z P:z P:z P:x P:z P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">46 50 85 85 33 31 52 47 31 46 21 43 46 52 52 44 94 34 42 84 40 83 84 31 85 22 24 84 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.724</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="27">7.54 7.27 6.79 5.82 3.84 3.20 3.20 2.70 2.42 2.32 2.32 2.17 2.06 1.96 1.84 1.81 1.75 1.57 1.42 1.33 1.25 1.21 1.18 1.15 1.12 1.10 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:y P:y P:z P:x P:y P:x P:x P:z P:y P:x P:x P:x P:z P:z P:y P:x P:z P:y P:x P:x P:x P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">32 79 51 83 42 83 41 41 79 35 95 48 51 95 98 85 46 21 46 79 45 47 43 32 22 98 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.709</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="28">5.42 5.35 4.96 4.28 3.91 3.62 3.13 3.00 2.63 2.63 2.63 2.53 2.43 2.42 2.41 2.39 2.32 1.96 1.86 1.56 1.53 1.33 1.29 1.22 1.22 1.22 1.14 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:x P:x P:y P:z P:y P:z P:z P:y P:y P:x P:z P:x P:x P:y P:y P:z P:x P:x P:z P:x P:x P:x P:y P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">33 29 36 85 50 31 46 30 51 29 41 85 53 46 53 46 52 50 79 29 52 85 25 25 83 42 32 36</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">-6.694</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">13.51 10.31 9.38 5.45 4.50 3.47 2.67 2.56 2.05 1.99 1.93 1.74 1.64 1.54 1.47 1.30 1.19 1.14 1.12 1.11 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:y 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:z P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">62 64 93 78 87 60 60 88 64 93 77 61 67 58 62 72 57 99 58 69 86</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">-6.678</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="26">8.38 8.07 7.54 5.23 2.82 2.69 2.64 2.56 2.47 2.42 2.04 1.69 1.64 1.53 1.49 1.47 1.46 1.32 1.29 1.26 1.23 1.19 1.09 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:z P:z P:y P:y P:z P:y P:x P:x P:x P:z P:z P:x P:z P:z P:x P:x P:y P:x P:x P:y P:z P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">65 70 86 70 38 67 86 88 34 49 23 56 30 88 54 23 65 77 71 91 77 97 58 63 94 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">362</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.46 7.43 4.66 3.94 3.77 3.62 3.32 2.75 2.67 2.67 2.51 2.46 2.15 2.11 1.93 1.89 1.53 1.50 1.41 1.33 1.32 1.22 1.19 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:y P:x P:x P:z P:y P:y P:z P:x P:z P:z P:z P:z P:y P:x P:x P:y P:x P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">65 38 63 94 34 49 53 86 30 86 99 38 94 70 70 54 53 76 69 54 63 48 63 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">363</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.17 6.97 5.34 5.20 5.18 3.57 3.01 2.94 2.90 2.86 2.76 2.66 2.48 2.48 2.32 2.20 1.97 1.94 1.74 1.62 1.49 1.41 1.35 1.31 1.15 1.14 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:y P:y P:z P:z P:z P:x P:x P:z P:x P:z P:z P:y P:y P:x P:y P:z P:x P:y P:z P:x P:y P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">88 77 67 91 99 77 88 80 76 96 96 78 23 87 97 54 54 66 56 96 91 69 92 23 76 93 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.641</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">364</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.83 6.57 5.19 5.07 4.31 3.91 3.68 2.66 2.46 2.37 2.11 2.05 1.79 1.69 1.57 1.56 1.45 1.45 1.43 1.34 1.25 1.14 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">P:y P:y P:z P:x P:z P:z P:y P:x P:x P:y P:z 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:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">87 23 78 60 54 99 67 54 29 30 70 58 53 60 58 86 91 96 70 91 65 54 99 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.621</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">11.65 9.60 8.16 4.93 4.69 2.53 2.43 2.02 1.85 1.63 1.59 1.56 1.46 1.32 1.24 1.19 1.14 1.13 1.08 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:y P:z P:x P:x P:x P:z P:y P:y P:x P:z P:x P:y P:y P:z P:x P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">29 30 53 85 46 53 47 31 21 52 52 28 23 22 54 60 27 70 30 29 87</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">-6.588</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="35">7.73 5.02 4.62 4.32 3.31 2.71 2.61 2.61 2.61 2.52 2.31 2.31 2.16 2.13 2.09 1.90 1.83 1.67 1.58 1.56 1.52 1.47 1.44 1.42 1.38 1.34 1.29 1.21 1.18 1.14 1.14 1.13 1.11 1.09 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:z P:z P:y P:x P:x P:x P:y P:y P:x P:z P:x P:z P:x P:z P:x P:z P:x P:y P:x P:y P:x P:y P:x P:x P:z P:y P:x P:y P:z P:y P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">41 79 36 36 43 29 37 25 31 35 53 46 32 94 25 25 39 34 30 84 24 79 51 45 95 84 43 85 39 46 33 55 21 48 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.583</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="27">5.16 4.56 4.53 3.77 3.67 3.18 3.01 2.96 2.90 2.52 2.34 2.32 2.26 2.09 1.81 1.81 1.77 1.75 1.65 1.63 1.58 1.39 1.24 1.10 1.07 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:z P:x P:z P:y P:y P:z P:z P:y P:x P:z P:x P:y P:x P:z P:x P:y P:x P:y 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="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">67 73 76 99 73 71 54 71 91 80 96 96 23 69 66 78 96 56 97 76 78 77 91 23 68 46 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.580</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="22">8.71 7.17 5.17 4.90 4.73 3.32 3.31 2.81 2.67 2.42 2.41 2.31 1.83 1.62 1.53 1.45 1.44 1.29 1.23 1.18 1.09 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:z P:x P:y P:y P:x P:z P:z P:x P:y P:z P:z P:y P:y P:y P:z P:x P:x P:y P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">50 85 33 21 46 85 52 52 31 46 47 84 52 30 84 45 48 22 85 51 48 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.572</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="18">10.11 7.22 6.90 6.50 6.27 5.79 2.99 2.86 2.81 2.63 2.42 2.29 1.98 1.33 1.26 1.24 1.18 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:y P:z P:y P:x P:z P:y P:x P:y P:z P:z P:y P:z P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">47 21 84 43 33 27 25 25 43 27 50 31 31 27 52 46 46 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.567</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">370</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.19 5.48 4.29 4.29 4.07 2.91 2.89 2.77 2.68 2.60 2.44 2.22 2.17 2.15 2.04 1.91 1.77 1.73 1.68 1.60 1.56 1.53 1.51 1.50 1.43 1.28 1.20 1.12 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:y P:y P:x P:y P:z P:z P:x P:y P:x P:x P:z P:x P:y P:y P:y P:z P:x P:x P:y P:x P:x P:x P:z P:x P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">70 70 86 71 73 58 82 87 92 72 80 65 70 91 58 71 73 56 88 87 60 81 62 80 78 61 49 65 77 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.546</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="33">6.59 5.84 5.71 3.90 3.66 3.53 3.51 2.97 2.95 2.86 2.78 2.50 2.43 2.11 1.87 1.73 1.64 1.62 1.50 1.45 1.45 1.37 1.33 1.30 1.28 1.26 1.26 1.25 1.18 1.18 1.16 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:x P:x P:x P:z P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:z P:y P:y P:z P:x P:x P:z P:y P:z P:x P:x P:y P:x P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">97 58 66 92 70 67 99 91 62 77 59 68 88 96 90 89 61 96 60 74 86 58 62 57 91 92 23 60 54 61 66 70 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.528</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="28">12.89 6.95 6.47 4.11 3.01 2.97 2.79 2.70 2.61 2.48 2.20 2.08 2.05 2.00 1.51 1.49 1.36 1.35 1.32 1.27 1.25 1.24 1.23 1.18 1.16 1.14 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:z P:x P:y P:y P:z P:x P:z P:x P:z P:y P:y P:z P:y P:z P:z P:x P:x P:y P:y P:z P:z P:y P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">62 64 72 60 93 67 74 93 93 68 78 97 68 88 90 66 77 54 69 77 88 99 63 72 80 23 91 69</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">-6.508</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">373</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.65 6.11 4.55 4.18 4.17 3.72 3.33 3.32 3.20 3.13 2.48 2.42 2.38 1.80 1.73 1.59 1.58 1.49 1.46 1.21 1.19 1.16 1.14 1.12 1.11 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y P:z P:z P:x P:z P:x P:z P:y P:x P:y P:y P:x P:y P:y P:z P:y P:z P:y P:z P:y P:y P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">90 56 82 93 72 65 64 68 59 59 90 93 89 78 57 67 96 23 77 87 81 54 49 99 57 72 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.505</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">374</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.64 8.51 4.00 3.97 3.73 3.50 2.93 2.66 2.42 2.36 2.31 2.22 2.16 2.05 1.95 1.85 1.79 1.62 1.55 1.44 1.43 1.31 1.29 1.28 1.28 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:z P:z P:y P:z P:x P:x P:z P:x P:y P:y P:x P:y P:x P:x P:y P:y P:z P:z P:y P:y P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">72 87 82 59 59 89 59 86 23 89 61 76 72 57 78 68 72 64 60 54 60 49 61 69 92 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.496</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="33">5.56 4.93 4.81 3.95 3.64 3.31 3.27 2.97 2.86 2.61 2.48 2.12 1.91 1.90 1.84 1.78 1.77 1.63 1.56 1.54 1.54 1.51 1.44 1.42 1.32 1.25 1.16 1.13 1.11 1.06 1.06 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">P:z P:y P:y P:z P:y P:z P:x P:x P:x P:y P:x P:z P:z P:x P:x P:y P:z P:y P:y P:z P:x P:x P:z P:z P:y P:z P:y P:y P:z P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">50 33 37 37 39 39 45 48 47 31 21 48 45 95 34 21 44 30 22 53 35 94 43 32 51 52 84 40 42 28 52 52 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 O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.479</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="26">5.86 5.35 4.94 4.81 4.35 3.53 3.51 3.48 3.11 3.07 3.06 2.97 2.54 2.43 2.42 2.18 2.03 1.85 1.76 1.71 1.53 1.38 1.37 1.28 1.22 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:z P:z P:x P:x P:x P:z P:z P:z P:x P:y P:z P:z P:x P:x P:z P:x P:y P:y P:y P:y P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">64 57 72 90 78 65 68 59 96 54 90 90 92 93 60 86 99 59 91 23 89 64 80 67 61 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.462</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">7.53 5.36 4.49 4.09 3.46 3.17 3.12 2.48 2.40 2.28 2.14 1.87 1.87 1.77 1.77 1.73 1.70 1.69 1.64 1.60 1.58 1.55 1.54 1.51 1.43 1.37 1.32 1.28 1.26 1.19 1.08 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:z P:y P:x P:x P:y P:y P:z P:x P:y P:z P:y P:x P:z P:z P:y P:x P:y P:z P:x P:z P:y P:z P:z P:y P:y P:y P:z P:y P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">29 36 36 27 37 30 27 53 79 39 27 26 48 39 83 34 45 33 40 25 94 44 47 75 84 51 95 50 29 46 41 32 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.446</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">5.16 4.45 4.44 4.41 3.97 3.53 2.91 2.81 2.47 2.32 2.26 2.23 1.94 1.79 1.69 1.69 1.61 1.59 1.46 1.44 1.39 1.37 1.28 1.23 1.21 1.18 1.13 1.13 1.12 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:x P:x P:z P:z P:z P:z P:x P:z P:y P:z P:x P:y P:x P:x P:x P:x P:x P:y P:y P:x P:y P:z P:x P:z P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">51 36 25 32 22 29 27 28 33 31 28 35 50 29 29 27 94 79 34 22 27 75 52 32 55 52 95 40 83 28 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.439</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="25">7.40 7.12 7.03 6.26 2.86 2.51 2.48 2.33 2.07 2.07 1.95 1.92 1.67 1.48 1.42 1.40 1.37 1.35 1.27 1.22 1.17 1.15 1.15 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:y P:z P:y P:y P:z P:z P:x P:y P:y P:y P:x P:z P:y P:y P:z P:y P:z P:y P:z P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">36 36 41 79 21 84 25 47 85 95 25 55 46 52 31 22 26 44 24 42 30 35 85 43 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.430</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="25">9.71 5.34 5.30 4.41 2.99 2.98 2.87 2.75 2.61 2.37 2.37 2.27 2.21 2.05 1.99 1.87 1.81 1.73 1.62 1.51 1.50 1.21 1.21 1.18 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:z P:x 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:y P:x P:y P:y P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">89 90 57 57 72 69 87 90 74 23 78 89 82 89 54 92 68 59 67 56 64 23 74 81 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 O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.423</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">381</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.91 6.27 4.44 4.12 3.99 3.67 3.49 2.63 2.53 2.16 2.07 2.07 2.01 1.69 1.57 1.57 1.52 1.50 1.34 1.28 1.26 1.25 1.21 1.15 1.09 1.08 1.05 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:x P:z P:x P:z P:x P:y P:x P:z P:x P:y P:y P:z P:z P:y P:z P:x P:y P:x P:x P:z P:y P:z P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">57 59 89 87 72 89 64 59 82 78 89 69 56 68 70 54 54 59 86 64 72 68 23 61 74 54 90 66 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">-6.417</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="35">7.21 6.27 6.17 4.03 3.87 3.37 2.94 2.84 2.57 2.52 2.33 2.31 2.09 2.06 2.05 1.97 1.85 1.57 1.50 1.46 1.41 1.40 1.39 1.31 1.23 1.23 1.19 1.19 1.18 1.14 1.14 1.11 1.08 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:z P:y P:x P:z P:z P:z P:x P:y P:y P:x P:y P:x P:x P:z P:z P:z P:y P:y P:x P:y P:y P:z P:x P:z P:x P:z P:y P:y P:y P:x P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">41 26 75 26 55 84 35 21 24 95 47 84 79 55 43 30 40 46 31 42 45 30 52 48 32 95 53 43 39 51 24 50 44 45 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.401</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="28">9.91 7.15 6.55 4.53 3.15 3.05 2.95 2.79 2.71 2.43 2.27 2.23 2.12 1.87 1.76 1.67 1.65 1.62 1.56 1.52 1.35 1.24 1.09 1.09 1.09 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:x P:y P:y P:x P:z P:x P:x P:z P:y P:y P:y P:x P:y P:z P:x P:z P:y P:y P:x P:x P:z P:x P:z P:x P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">79 75 26 75 75 26 41 53 33 53 31 47 24 43 83 30 44 36 27 32 26 25 48 24 55 95 36 34</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">-6.386</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="25">14.42 10.47 6.15 5.23 4.64 4.49 3.96 3.92 2.97 2.86 2.52 2.37 2.33 2.14 2.01 1.88 1.54 1.50 1.43 1.33 1.26 1.18 1.12 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:x P:y P:x P:z P:z P:z P:x P:x P:x P:y P:y P:y P:x P:z P:z P:z P:x P:x P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">57 89 90 89 76 78 59 80 54 87 80 57 73 71 23 59 73 71 72 76 90 99 23 93 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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.354</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">15.10 6.53 5.36 5.01 4.91 4.55 4.51 2.90 2.86 2.45 2.31 1.75 1.73 1.45 1.43 1.39 1.36 1.36 1.23 1.08 1.08 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:x P:x P:x P:z P:y P:y P:z P:y P:z P:x P:y P:x P:z P:z P:z P:y P:x P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">24 47 55 21 55 26 55 43 43 36 26 44 43 50 84 79 52 24 35 32 26 28 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.348</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="22">10.53 7.14 6.22 4.73 4.72 4.16 3.51 3.50 3.31 3.07 2.65 2.60 2.47 2.34 2.10 1.93 1.71 1.62 1.49 1.40 1.21 1.20</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:z P:x P:x P:z P:y P:y P:x P:z P:x P:x P:x P:x P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">55 75 24 44 55 40 84 75 21 35 95 26 35 22 24 40 95 55 26 98 51 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.308</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="23">14.08 6.62 5.66 5.10 4.78 3.73 3.63 3.60 3.47 3.34 2.68 2.39 2.22 2.20 2.05 1.95 1.75 1.65 1.57 1.47 1.20 1.16 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:x P:y P:y P:x P:x P:z P:z P:z P:x P:x P:y P:x P:x P:x P:x P:y P:y P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">24 55 47 75 45 55 24 43 48 26 21 41 37 26 75 48 79 84 39 37 53 33 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.293</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">388</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">10.00 9.80 5.39 3.90 3.69 3.03 3.01 2.81 2.75 2.59 2.41 2.39 2.32 2.14 2.06 1.90 1.87 1.83 1.65 1.54 1.53 1.45 1.21 1.18 1.15 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z P:x P:x P:y P:z P:y P:x P:z P:y P:y P:x P:x P:z P:y P:y P:y P:x P:x P:y P:z P:z P:z P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">49 63 66 97 68 74 82 69 96 97 91 99 81 81 90 59 92 56 67 56 61 90 59 88 64 77 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.250</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="12">32.47 10.05 10.03 7.49 6.19 2.95 2.91 2.11 1.77 1.28 1.04 1.02</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:z P:y P:z P:x P:x P:y P:x P:y P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">98 98 42 98 41 95 95 24 83 35 42 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.201</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">8.38 6.88 6.32 5.26 5.24 5.15 4.99 4.72 4.43 3.97 3.64 3.29 3.11 2.23 2.18 2.10 1.70 1.37 1.32 1.18 1.18 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:y P:z P:x P:x P:z P:z P:z P:x P:z P:z P:y P:y P:z P:y P:y P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">67 97 92 91 74 99 66 91 61 96 69 81 63 49 82 92 97 96 81 56 68 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.84 9.03 5.52 4.49 3.12 3.06 3.06 2.97 2.70 2.69 2.63 2.61 2.51 2.51 2.39 2.20 2.16 1.92 1.69 1.64 1.62 1.49 1.35 1.25 1.13 1.13 1.12 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:x P:y P:z P:x P:x P:x P:z P:y P:z P:y P:x P:x P:y P:y P:y P:y P:z P:z P:x P:z P:z P:y P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">42 83 32 34 94 94 35 51 40 44 52 22 95 50 31 75 51 26 28 75 33 26 30 95 85 41 53 34</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">-6.169</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="30">7.78 7.77 7.11 6.24 6.07 5.68 3.95 3.63 2.88 2.78 2.44 2.33 2.33 2.23 2.22 2.01 1.85 1.73 1.72 1.67 1.65 1.65 1.63 1.58 1.34 1.27 1.25 1.20 1.17 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:y P:x P:z P:z P:y P:x P:z P:y P:x P:z P:y P:y P:z P:x P:x P:x P:z P:y P:y P:x P:y P:x P:x P:z P:z P:y P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">82 99 61 96 68 66 74 56 67 68 81 49 81 97 92 96 91 96 92 91 74 61 81 56 69 91 69 67 92 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.111</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="25">7.70 7.40 6.31 6.09 5.89 5.64 5.54 4.06 3.36 3.12 2.86 2.78 2.21 2.15 2.12 2.11 1.84 1.84 1.80 1.77 1.16 1.14 1.10 1.07 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:x P:z P:y P:z P:x P:y P:z P:z P:x P:y P:z P:x P:y P:z P:y P:y P:z P:y P:y P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">50 33 32 28 22 52 51 31 31 40 95 42 98 35 44 83 51 34 22 52 95 35 94 94 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.083</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="30">12.75 12.34 5.31 4.73 4.57 4.00 3.59 2.84 2.78 2.42 2.33 2.29 2.29 2.21 2.20 2.18 2.15 2.11 1.75 1.48 1.45 1.42 1.41 1.38 1.22 1.19 1.18 1.02 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:x P:x P:z P:y P:z P:z P:y P:y P:x P:y P:x P:z P:x P:z P:y P:x P:y 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</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">70 58 62 68 60 81 82 62 74 56 60 69 59 74 49 90 60 63 82 63 70 62 97 49 57 91 81 89 90 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.079</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="30">6.22 5.66 5.16 5.05 5.00 4.69 4.34 4.23 3.85 3.52 2.76 2.67 2.63 2.59 2.49 2.36 2.33 2.25 2.19 2.04 1.96 1.94 1.94 1.87 1.81 1.80 1.76 1.60 1.38 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:y P:z P:x P:z P:y P:z P:x P:x P:y P:y P:x P:z P:z P:y P:z P:x P:y P:y P:x P:z P:x P:x P:z P:x P:z P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">50 44 28 33 40 34 52 32 51 95 22 22 94 34 94 31 31 42 31 52 35 94 28 22 35 95 83 35 40 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">-5.990</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">12.77 12.46 5.31 5.02 4.84 4.11 3.58 2.97 2.82 2.62 2.59 2.59 2.50 2.45 2.15 2.00 1.94 1.93 1.77 1.61 1.61 1.56 1.41 1.21 1.21 1.13 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:z P:y P:z P:z P:y P:y P:y P:x P:z P:y P:z P:x P:y P:x P:x P:x P:z P:z P:x P:x P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">36 25 29 34 94 27 44 29 95 40 40 42 35 26 27 83 27 75 83 36 29 44 94 42 75 55 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">-5.969</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="18">9.37 7.82 7.63 6.50 6.20 6.09 5.34 5.22 4.46 3.97 3.91 3.58 3.50 2.68 2.34 1.98 1.89 1.86</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:y P:y P:x P:z P:y P:z P:z P:z P:x P:x P:z P:y P:z P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">60 90 89 70 57 59 90 59 62 62 58 60 57 58 89 57 62 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.934</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="23">13.16 11.24 8.62 7.67 4.50 4.13 3.63 3.33 3.32 3.04 3.00 2.59 2.53 2.38 2.31 1.85 1.56 1.20 1.13 1.13 1.06 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:z P:z P:x P:x P:z P:x P:x P:z P:y P:y P:x P:x P:z P:y P:y P:y P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">59 89 90 57 67 99 92 97 66 91 61 96 90 57 61 92 99 58 66 90 96 68 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.903</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">8.50 7.50 6.82 6.81 6.40 6.33 6.07 5.72 5.08 3.66 3.52 3.42 3.24 3.10 2.26 2.23 2.22 2.08 2.06 1.41 1.33 1.33 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:y P:y P:z P:x P:y P:x P:x P:x P:z P:z P:y P:z P:z P:z P:y P:y P:x P:x P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">61 99 82 92 74 67 68 66 97 81 81 96 49 63 91 92 56 91 69 68 69 96 97 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.883</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">400</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.11 9.45 8.40 6.58 6.48 6.04 4.94 4.52 4.36 3.87 3.60 3.44 2.95 2.59 1.99 1.78 1.58 1.34 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:y P:x P:y P:z P:z P:z P:z P:x P:x P:z P:z P:y P:z P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">55 27 26 36 75 26 29 27 24 25 29 75 55 24 25 29 36 24 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">401</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.71 9.18 8.92 7.60 6.07 5.61 4.59 3.89 3.53 2.88 2.76 2.63 2.58 2.50 2.47 1.91 1.73 1.65 1.60 1.23 1.23 1.19 1.18 1.13 1.09 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:y P:y P:x P:x P:z P:y P:y P:y P:x P:z P:z P:z P:x P:y P:y P:y P:z P:y P:y P:y P:x P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">75 24 26 55 51 32 31 52 34 44 75 40 52 94 24 31 28 75 22 32 24 50 33 29 94 27 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">-5.807</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="24">9.99 9.94 9.49 8.69 4.44 4.19 4.09 3.97 3.41 3.15 3.08 2.86 2.83 2.57 2.25 2.22 1.97 1.82 1.66 1.52 1.31 1.23 1.19 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">P:z P:x P:x P:y P:z P:y P:z P:y P:z P:y P:x P:y P:x P:y P:x P:x P:z P:z P:z P:z P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">28 50 33 22 40 44 22 42 83 34 32 95 94 28 35 51 94 52 35 75 31 34 26 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.701</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="26">8.76 7.70 6.93 6.26 5.91 5.91 5.36 4.44 3.76 2.89 2.80 2.71 2.26 2.12 2.08 2.01 1.78 1.78 1.77 1.73 1.53 1.37 1.25 1.20 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:x P:z P:x P:z P:x P:y P:z P:z P:x P:z P:x P:z P:z P:x P:y P:y P:y P:x P:x P:y P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">89 59 70 57 58 90 60 90 62 59 99 60 67 61 58 62 92 57 62 57 66 82 97 89 68 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.616</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">404</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.20 7.46 6.98 6.39 6.19 5.76 5.35 4.09 3.68 3.16 2.92 2.52 2.36 2.35 2.10 1.86 1.86 1.84 1.81 1.59 1.36 1.34 1.21 1.11 1.11 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:x P:z P:z P:x P:x P:y P:z P:z P:z P:x P:x P:z P:x P:y P:y P:z P:x P:y P:x P:z P:z P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">55 26 36 24 75 27 25 75 29 26 27 33 50 28 29 29 22 25 24 24 32 55 40 51 34 44 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">405</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">28.19 15.50 10.64 9.58 6.86 3.09 2.41 2.01 1.73 1.72 1.27 1.15 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:xy D:x2-y2 P:x D:yz P:y P:y P:x P:x D:z2 P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">102 102 81 102 74 81 74 78 102 93 93 74 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc O Tc 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">-4.591</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="17">12.12 9.76 8.13 7.58 7.32 6.58 6.43 5.80 3.42 3.25 2.42 1.45 1.44 1.34 1.21 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 D:xz D:xy D:yz D:x2-y2 P:z P:x D:z2 P:y P:x P:x D:yz P:z P:x D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">101 101 101 101 101 103 44 34 103 40 94 21 103 49 56 103 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc Tc Tc Tc Tc O O Tc O O O Tc O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.540</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="11">25.95 16.37 10.65 9.57 7.62 5.40 4.43 2.50 2.15 1.73 1.68</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:z2 D:xz P:z P:x P:z D:xy D:x2-y2 P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">102 102 72 68 82 102 102 72 72 64 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc O O O Tc Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.442</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="14">25.24 11.06 9.95 4.69 4.28 4.11 3.81 3.56 3.42 3.21 1.96 1.48 1.27 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:xy D:z2 D:xz D:z2 P:y D:xy D:yz P:x P:z P:x P:y D:xz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.00 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">101 101 101 103 40 103 101 94 44 34 94 103 47 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc Tc O Tc 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">-4.391</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">409</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">37.00 7.92 6.85 5.92 5.69 4.82 4.23 2.58 1.58 1.43 1.38 1.22 1.21 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:yz D:xy P:y P:z P:y P:z P:x P:z P:x P:y D:x2-y2 D:xy P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -6.681 3.841</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 1.33 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">102 102 82 74 68 81 58 62 74 62 102 10 81 103 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc O O O O O O O O Tc W O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.271</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="13">37.92 9.16 7.50 5.53 5.51 4.71 4.19 2.20 1.67 1.63 1.45 1.42 1.26</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:yz D:xy P:y P:z P:y P:x P:z P:z D:x2-y2 P:x D:xy P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">101 101 44 40 34 25 94 29 101 40 20 29 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc O O O O O O Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.885</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="16">18.49 13.75 11.26 7.27 4.63 2.71 2.48 2.33 2.29 2.05 1.91 1.73 1.60 1.45 1.43 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:x2-y2 D:z2 D:x2-y2 D:xy D:z2 D:xz P:z P:z P:x D:yz P:y P:x P:y P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">103 103 101 103 101 103 38 49 56 103 63 38 38 70 69 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc Tc Tc Tc O O O Tc O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.845</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="14">42.74 7.36 3.36 2.80 2.55 2.48 2.32 2.22 2.20 1.75 1.63 1.57 1.26 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:yz D:xy P:y D:x2-y2 P:z P:x D:x2-y2 D:xy P:z P:y D:xz D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.33 1.00 1.33 1.33 1.00 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">103 103 56 101 69 70 103 14 60 49 9 12 60 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc O Tc O O Tc W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.378</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="20">24.61 13.30 5.48 5.24 4.04 3.69 2.89 2.26 2.14 1.54 1.52 1.41 1.38 1.36 1.29 1.26 1.13 1.11 1.10 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">D:yz D:xy D:x2-y2 D:xy P:x D:xz D:z2 P:z D:xz D:z2 D:xz D:x2-y2 P:y P:x D:xy D:xz D:yz D:xy P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -6.681 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 0.80 1.33 0.80 0.80 1.33 0.80 1.00 1.00 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="20">100 100 100 4 36 19 2 27 1 100 100 17 95 27 16 16 17 2 27 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc W O W W O W Tc Tc 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">-3.143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">21.14 19.00 10.03 6.37 5.60 4.79 3.54 2.61 2.26 1.52 1.24 1.11 1.02 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:xy D:z2 P:y P:z D:xz D:yz D:xy D:xz D:z2 P:y D:xz P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.33 1.33 1.00 1.00 1.00 1.00 1.00 1.33 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">103 103 38 38 103 103 101 101 101 63 14 49 56 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc O O Tc Tc Tc Tc Tc O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.070</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">23.61 21.86 7.70 3.12 2.59 2.57 2.39 2.20 2.17 2.02 1.39 1.23 1.22 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:x2-y2 D:yz D:xy D:xz D:xz D:x2-y2 P:x D:xz P:y D:xy D:x2-y2 P:x D:z2 D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -4.492 -6.681 -9.089 -6.681 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.00 1.33 0.80 1.00 1.33 1.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">100 100 100 101 103 103 79 100 83 19 101 38 100 2 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc Tc Tc O Tc O W Tc O Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">10.86 10.25 9.76 9.00 4.36 3.80 3.48 2.88 2.86 2.43 2.07 1.58 1.58 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:xz D:xz D:x2-y2 D:x2-y2 D:xy D:x2-y2 P:x D:xy P:y D:yz D:xz P:z D:yz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.00 1.33 1.00 1.00 1.33 1.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">101 103 103 100 101 101 38 100 38 100 100 38 101 103 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc Tc Tc O Tc O Tc Tc O Tc Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.90 7.50 5.33 5.15 4.78 3.28 3.24 2.63 2.58 2.35 2.34 2.28 2.08 2.03 2.00 1.96 1.86 1.81 1.77 1.61 1.49 1.47 1.46 1.29 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xz D:z2 D:z2 D:xz D:yz D:z2 D:z2 D:x2-y2 D:xy D:yz D:x2-y2 P:y P:y D:xz P:y D:yz D:xy P:z P:z P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 14 15 12 8 9 13 13 15 7 12 7 9 49 82 7 56 9 8 74 63 67 68 99 69 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W O O W O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">37.31 10.49 4.55 4.17 2.71 2.33 2.24 2.06 1.92 1.74 1.63 1.56 1.40 1.27 1.25 1.19 1.10 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:z2 D:xy P:z D:xz D:xy P:x P:z D:xz D:x2-y2 D:yz D:x2-y2 D:z2 D:xz D:xz P:y P:y D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.33 1.00 0.80 1.33 1.33 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">100 100 98 100 4 41 42 4 17 17 100 2 19 17 95 98 20 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc O Tc W O O W W W Tc W W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.832</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">8.22 6.76 5.43 4.28 4.06 3.29 3.21 2.99 2.91 2.80 2.62 2.16 1.85 1.84 1.81 1.58 1.53 1.48 1.38 1.37 1.37 1.34 1.21 1.20 1.17 1.15 1.11 1.08 1.07 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">D:xy D:z2 D:xz D:z2 D:z2 D:z2 D:xy D:xy D:yz D:xz D:z2 P:y P:z D:xy D:z2 D:xy P:y P:y D:xz D:x2-y2 D:xz D:x2-y2 D:yz P:z P:z P:y P:z D:xz P:x D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 1.00 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 1.33 1.33 1.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">20 100 5 18 2 3 4 100 3 4 5 44 40 2 17 18 42 34 100 19 19 17 19 98 94 95 83 17 35 17 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W Tc W W W W W Tc W W W O O W W W O O Tc W W W W O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.778</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">11.37 8.16 5.97 4.66 3.48 3.06 2.91 2.81 2.66 2.37 2.34 2.20 2.04 1.84 1.69 1.61 1.61 1.35 1.34 1.33 1.32 1.32 1.26 1.21 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">D:xz D:xz D:xy D:xy P:y P:y D:xy D:z2 P:z D:yz D:x2-y2 P:z D:xy D:z2 P:x P:x D:xz D:z2 P:y D:z2 D:yz P:x P:x P:y P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 6 6 11 89 59 10 8 57 13 6 90 14 12 66 97 15 13 68 15 7 67 99 82 74 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W W O W W O W W O O W W O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.700</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">421</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">11.02 7.37 6.02 4.97 3.19 2.75 2.75 2.54 2.39 2.06 2.06 1.87 1.85 1.83 1.83 1.55 1.51 1.33 1.26 1.25 1.24 1.13 1.11 1.07 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz D:xz D:xy D:xy P:y D:x2-y2 P:y P:z D:z2 D:xy P:z D:z2 D:xy P:x D:yz P:x P:x P:x P:y D:yz D:z2 D:xz D:z2 P:z D:xy P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.00 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">1 16 16 1 55 16 26 24 2 20 75 18 4 32 3 51 33 50 42 17 100 5 3 83 2 34 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W O W O O W W O W W O W O O O O W Tc W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.667</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.40 8.02 6.04 5.25 4.95 2.95 2.89 2.74 2.22 2.21 2.04 2.02 1.62 1.62 1.50 1.43 1.42 1.36 1.34</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xz D:x2-y2 D:xz P:x D:xz D:xy D:xy D:yz D:yz D:xz D:x2-y2 D:yz P:x P:z P:x P:x D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -6.681 -6.681 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.00 0.80 1.33 0.80 0.80 0.80 1.00 1.00 1.00 1.00 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">102 102 11 72 6 6 11 102 103 101 101 13 38 72 66 71 102 6 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc W O W W W Tc Tc Tc Tc W O O O O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.615</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">423</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">8.18 6.17 5.81 5.51 3.83 3.41 3.29 2.81 2.38 2.37 2.21 2.19 2.04 2.01 1.87 1.80 1.70 1.63 1.61 1.59 1.54 1.54 1.46 1.37 1.31 1.30 1.28 1.21 1.21 1.15 1.07 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:xy D:z2 D:xy D:xz D:yz D:z2 D:z2 D:xz D:z2 P:y P:y P:z P:z P:y P:x D:xy P:x P:x P:y P:z D:x2-y2 D:x2-y2 D:yz D:yz D:xy P:z D:x2-y2 P:x P:z D:x2-y2 D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 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="33">10 8 14 15 13 12 15 9 13 82 68 74 81 49 99 8 67 97 56 91 9 7 9 7 12 61 15 66 63 13 8 69 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W O O O O O O W O O O O W W W W 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">-2.517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">424</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">7.98 5.99 5.82 4.73 4.56 3.42 3.03 2.87 2.71 2.60 2.42 2.17 2.13 1.94 1.73 1.68 1.65 1.62 1.61 1.60 1.57 1.53 1.53 1.53 1.30 1.27 1.26 1.19 1.15 1.07 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xy D:xy D:z2 D:xz D:yz D:z2 D:z2 D:xz D:z2 P:y P:y P:y P:z P:z D:xy D:yz P:z D:x2-y2 P:x D:yz P:z D:x2-y2 D:x2-y2 P:x P:y P:x P:z P:x P:y P:z D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">20 4 18 5 3 3 2 19 5 34 44 42 94 40 18 18 83 19 33 19 28 17 3 50 95 51 31 32 22 22 5 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W O O O O O W W O W O W O W W O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.64 8.43 6.93 5.83 5.68 4.71 3.59 2.71 1.79 1.72 1.38 1.35 1.32 1.20 1.15 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 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xz D:xz D:x2-y2 D:xz P:x D:xy D:xy D:xy P:z D:yz D:x2-y2 P:x P:z P:x P:x S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -5.054 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 0.80 1.00 0.80 1.33 0.80 1.00 0.80 1.33 1.00 0.80 1.33 1.33 1.33 1.33 2.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">102 11 102 6 72 6 102 11 72 103 6 71 61 67 99 102 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc W Tc W O W Tc W O Tc W O O O O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.430</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">426</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.32 8.95 6.53 6.28 5.33 3.01 2.73 2.54 1.82 1.49 1.46 1.45 1.34 1.32 1.25 1.11 1.11 1.04 1.04 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xz D:yz D:xy D:xy D:x2-y2 P:x P:x D:x2-y2 D:xz P:z D:xy P:z D:xy D:x2-y2 P:x P:x D:x2-y2 D:z2 P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -6.681 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.33 1.00 1.00 1.33 1.00 1.33 0.80 0.80 1.33 1.33 1.00 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">1 16 100 16 1 16 32 51 100 102 52 100 31 20 1 33 50 102 5 42 44 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc W W W O O Tc Tc O Tc O W W O O Tc W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">427</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.11 7.97 7.25 5.43 4.65 4.48 4.16 3.96 3.81 2.92 2.74 2.67 2.58 2.31 2.20 1.83 1.63 1.56 1.50 1.36 1.22 1.18 1.15 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:yz D:z2 D:yz D:z2 P:y D:z2 P:z P:y P:z P:z D:xy D:z2 P:z D:yz D:yz D:xy D:x2-y2 D:xy P:y D:xy P:x D:xy P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">10 15 6 14 9 87 11 78 86 65 88 6 14 77 11 9 11 11 10 77 9 77 13 88 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O W O O O O W W O W W W W W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.323</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">428</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.80 5.90 4.51 4.22 4.12 3.80 3.71 3.68 3.64 3.52 3.31 3.24 3.08 3.08 2.62 2.33 2.27 2.15 1.72 1.71 1.49 1.32 1.07 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy D:xz D:yz D:yz P:x P:y P:x P:y D:x2-y2 D:xz D:x2-y2 D:xy D:x2-y2 P:z D:yz P:z D:xz D:x2-y2 P:x D:xy D:xy P:x P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 11 6 7 12 88 64 77 23 8 8 6 7 12 93 8 54 11 7 54 6 12 93 77 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O O O O W W W W W O W O W W O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.292</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">429</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.25 7.54 4.98 4.70 4.56 4.37 4.22 3.87 3.77 3.38 3.31 3.17 3.11 2.92 2.78 2.51 2.33 2.17 1.71 1.56 1.43 1.33 1.31 1.25 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:xy D:xy P:x P:x D:xz P:y D:xz D:yz D:x2-y2 D:yz P:y P:z D:xy D:xz D:xy D:x2-y2 P:z D:yz D:x2-y2 P:x D:xy D:xz D:x2-y2 P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">3 1 46 85 16 30 18 2 18 17 84 53 17 1 16 2 43 18 16 43 2 3 17 53 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W O O W O W W W W O O W W W W O W W O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.13 4.78 3.44 3.29 2.98 2.87 2.86 2.68 2.52 2.45 2.16 2.15 1.98 1.87 1.83 1.68 1.61 1.55 1.50 1.48 1.42 1.34 1.34 1.33 1.30 1.29 1.18 1.09 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:xy D:z2 D:yz D:z2 D:x2-y2 D:x2-y2 D:xy D:yz D:x2-y2 D:z2 D:xz D:xz D:xz D:xy D:z2 P:y D:x2-y2 P:y D:x2-y2 P:y D:xy D:z2 D:yz D:xy D:xz D:z2 P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 1.00 0.80 1.00 0.80 1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.00 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">12 14 102 7 103 9 102 7 13 103 8 10 103 9 15 7 56 15 59 7 89 103 9 8 10 12 15 69 90 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Tc W Tc W Tc W W Tc W W Tc W W W O W O W O Tc W W W W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.247</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">431</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.57 10.06 7.40 6.49 5.62 4.87 3.99 3.93 3.26 3.25 2.68 2.68 2.43 2.40 2.37 2.05 2.00 1.99 1.85 1.52 1.20 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:yz D:yz D:z2 D:z2 P:y P:z D:yz D:z2 P:y P:z P:z P:y D:x2-y2 P:z D:z2 D:yz D:yz D:x2-y2 P:y D:xy D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">20 5 16 1 21 47 4 19 41 46 79 85 1 85 4 19 1 16 46 20 5 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O O W W O O O O 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">-2.203</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">432</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.52 8.75 7.08 4.09 2.99 2.69 2.32 2.30 2.30 2.27 1.98 1.93 1.85 1.54 1.54 1.54 1.47 1.37 1.33 1.31 1.26 1.23</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:z2 D:x2-y2 D:xy D:z2 D:z2 P:x P:x D:xz P:x D:xy D:xz D:z2 D:yz P:y D:x2-y2 P:x P:z D:yz P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 9 8 13 10 12 9 66 70 15 97 8 13 13 7 49 7 58 62 14 63 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W O O W O W W W W O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.125</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">433</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">9.84 8.75 4.05 3.88 3.52 2.91 2.75 2.39 2.38 2.28 1.80 1.56 1.53 1.47 1.46 1.35 1.35 1.34 1.32 1.30 1.29 1.24 1.22 1.20 1.15 1.13 1.12 1.10 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:z2 D:xy D:z2 D:z2 D:x2-y2 D:xy P:y D:x2-y2 D:xz D:yz D:xz D:yz D:z2 D:xy P:y P:z D:xz P:z P:y D:yz D:x2-y2 D:xy D:yz D:x2-y2 P:z D:z2 D:xz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 1.00 0.80 1.00 0.80 1.33 0.80 0.80 0.80 1.00 0.80 1.00 0.80 1.33 1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">4 2 20 101 18 101 17 42 19 20 18 101 3 100 5 55 24 100 35 26 17 5 2 19 100 75 17 4 35 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W Tc W Tc W O W W W Tc W Tc W O O Tc O O W W W W Tc O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.122</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">434</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.96 5.74 4.68 4.08 3.34 3.27 2.84 2.33 2.25 2.21 2.09 2.07 2.05 2.00 1.86 1.65 1.59 1.47 1.45 1.43 1.35 1.27 1.22 1.21 1.20 1.10 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:x2-y2 D:z2 D:x2-y2 D:xz D:z2 D:yz P:z D:yz D:yz D:x2-y2 D:xy D:z2 P:x P:x D:z2 P:x D:yz D:xz D:xy D:z2 P:z D:xz D:x2-y2 D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 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 1.00 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="28">19 4 3 18 17 5 19 17 83 3 4 19 20 17 51 36 3 25 100 3 18 2 28 2 5 16 27 32</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 Tc 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">-2.064</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">435</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.96 4.83 4.76 3.89 3.49 3.46 3.25 3.24 2.70 2.66 2.64 2.51 2.13 1.49 1.46 1.46 1.38 1.35 1.22 1.12 1.11 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:x2-y2 D:xy D:yz D:z2 D:xz D:x2-y2 D:xy D:z2 D:xy P:x P:x D:xz P:z P:z D:xz D:yz P:x D:yz P:z D:x2-y2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 7 11 10 11 15 12 6 12 10 88 77 6 88 77 11 15 60 14 23 8 54 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O O W O O W W O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.026</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.36 7.26 5.92 5.37 3.85 3.56 3.42 3.27 3.12 2.83 2.68 2.19 2.01 1.71 1.69 1.66 1.62 1.52 1.41 1.38 1.29 1.24 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:yz D:yz D:z2 D:yz D:xy P:y P:y P:z D:z2 P:z D:yz D:yz D:x2-y2 P:y P:y D:xy D:xy D:yz D:x2-y2 D:xz D:x2-y2 D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 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">15 10 9 14 13 86 87 78 14 65 7 12 8 23 64 9 7 9 14 8 12 10 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O O W O W W W O O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.001</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.62 5.66 5.63 5.00 4.16 3.99 3.49 2.89 2.80 2.54 2.38 2.33 2.26 2.10 1.91 1.61 1.40 1.40 1.39 1.25 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:z2 D:xy D:x2-y2 P:x P:x D:z2 D:xz D:xz D:z2 D:yz D:x2-y2 D:yz D:xz D:yz D:xy P:x P:z P:z D:x2-y2 P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.33 1.33 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">1 16 16 17 85 46 1 1 16 2 20 2 5 5 100 20 27 85 46 18 84 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O O W W W W W W W W Tc W O O O W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.36 5.80 5.19 4.69 4.03 3.17 3.08 2.80 2.72 2.20 2.17 2.14 2.10 2.02 1.83 1.70 1.68 1.59 1.48 1.45 1.33 1.30 1.14 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:z2 D:xy D:xz D:z2 D:xz P:x P:y P:x D:yz P:z D:x2-y2 D:x2-y2 D:yz P:y D:z2 D:yz D:xy P:z D:xy D:yz D:yz D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 11 11 6 6 11 88 77 77 10 88 12 11 11 88 9 15 13 77 15 14 6 7 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O O W O W W W O W W W O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">439</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.65 5.90 5.32 4.14 3.94 3.60 3.40 3.31 2.93 2.93 2.74 2.64 2.56 2.27 2.06 2.00 1.97 1.85 1.76 1.73 1.53 1.39 1.23 1.17 1.16 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">D:xy D:yz D:yz D:xz D:xy P:y D:x2-y2 D:x2-y2 P:y D:z2 P:z D:yz D:yz P:z D:yz D:xy D:yz P:x P:y D:z2 P:z D:xz D:z2 P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 2 17 18 17 84 18 2 30 19 43 5 20 53 4 2 18 43 41 4 79 3 17 21 53 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W W O W O W W O W W W O O W O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.934</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">440</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">10.14 5.46 5.02 4.65 4.39 3.86 3.49 3.48 3.02 2.50 2.49 2.38 2.28 2.06 1.78 1.60 1.51 1.43 1.33 1.28 1.27 1.27 1.24 1.09 1.09 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:xz D:xy D:yz P:y P:y D:yz D:yz P:z D:xz D:xy D:yz P:z D:yz P:y P:y D:z2 D:z2 D:z2 D:xy D:yz D:xz D:xy D:z2 P:x D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">13 8 7 7 64 23 12 10 93 14 9 14 54 8 87 86 14 9 12 15 15 12 10 8 86 13 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W O O W W O W W W O W O O W W W W W W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.933</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.11 4.20 3.64 3.19 2.89 2.54 2.43 2.36 2.22 2.17 2.05 1.76 1.73 1.46 1.38 1.30 1.16 1.15 1.11 1.08 1.07 1.06 1.05 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:z2 D:xz D:yz D:yz D:xz D:xy P:x D:yz D:xy D:xy D:z2 D:xz D:xy D:yz D:yz P:z P:x D:z2 P:z P:z P:z P:z D:yz P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 6 15 103 12 9 11 58 15 6 14 11 8 12 11 7 60 88 12 77 74 88 54 8 77 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W Tc W W W O W W W W W W W W O O W O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.923</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">442</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.42 6.95 4.48 4.27 3.99 3.09 3.05 2.63 2.56 2.51 2.40 2.35 2.30 2.01 1.78 1.62 1.48 1.42 1.39 1.26 1.24 1.12 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:z2 D:xz D:xy D:z2 D:yz P:y D:xz D:x2-y2 P:x D:xy P:x P:z P:y D:yz D:yz P:z D:yz D:yz D:yz D:xy D:z2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">16 1 16 1 16 20 85 1 1 46 3 85 46 46 16 5 85 4 1 17 17 19 2 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O W W O W O O O W W O W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.846</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.72 4.97 4.70 4.68 4.35 4.32 4.19 3.90 3.20 3.00 2.87 2.45 2.41 2.35 2.03 1.90 1.85 1.82 1.80 1.68 1.63 1.63 1.61 1.45 1.19 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:xy D:yz D:z2 D:xy D:yz D:z2 P:y D:xz P:y D:xy P:z D:yz D:xy P:x P:y P:z D:yz D:yz P:y D:x2-y2 D:xz P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">20 3 4 19 19 5 4 41 18 21 5 79 2 17 79 30 47 17 19 84 4 4 53 43 47 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O W O W O W W O O O W W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.831</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.30 7.61 3.45 2.92 2.68 2.45 2.44 1.75 1.65 1.50 1.36 1.32 1.30 1.29 1.20 1.12 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:xz D:xy D:x2-y2 D:z2 P:x D:xz D:xy D:z2 D:yz D:yz D:xz D:xy D:z2 P:x D:yz D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 1.00 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">100 100 20 100 16 98 5 4 2 17 5 19 16 1 25 2 100 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc W Tc W O W W W W W W W W O W Tc O</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">445</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.00 5.46 4.24 2.54 2.45 2.40 1.94 1.89 1.87 1.75 1.71 1.63 1.59 1.53 1.43 1.28 1.21 1.16 1.13 1.12 1.12 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xy D:xy D:z2 D:z2 D:xy D:z2 D:xz P:x D:xz P:x D:xy D:z2 D:xy D:xz P:x D:xy D:xy D:x2-y2 P:z D:yz D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -6.681 -4.492 -9.089 -6.681 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.00 1.33 0.80 1.00 0.80 1.33 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">14 9 15 8 7 13 13 8 65 10 86 10 12 20 103 78 7 103 9 93 100 8 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W O W O W W W Tc O W Tc W O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">446</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.94 5.80 5.01 4.97 3.76 3.49 3.37 2.95 2.51 2.48 2.01 1.99 1.53 1.51 1.45 1.41 1.39 1.37 1.35 1.35 1.31 1.24 1.15 1.12 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">D:x2-y2 D:xy D:xz D:z2 D:xz D:xz D:yz D:x2-y2 P:x P:x D:xy P:z D:xz D:x2-y2 P:x D:yz P:x P:z D:z2 D:xz P:z P:y P:x D:z2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681</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 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">12 15 10 7 14 13 15 8 87 78 8 23 12 7 86 10 54 78 9 9 64 54 74 10 93 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O W O W W O W O O W W O O O W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">447</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.11 4.80 3.34 2.33 2.18 1.74 1.60 1.50 1.47 1.36 1.27 1.27 1.25 1.17 1.16 1.10 1.09 1.09 1.09 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">D:xz D:xy D:xz P:x D:xz D:z2 D:x2-y2 D:xz D:xz D:xy D:x2-y2 D:xz D:x2-y2 D:xz D:xz D:xz D:z2 D:xz D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 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 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 100 103 98 3 17 2 14 13 103 18 18 3 2 10 17 7 4 100 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc O W W W W W Tc W W W W W W W W Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.679</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.23 5.50 4.91 3.97 3.60 3.47 2.83 2.73 2.58 2.25 2.18 2.10 1.87 1.86 1.86 1.69 1.64 1.60 1.34 1.20 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:z2 D:z2 P:x D:xy D:xy D:z2 D:xz D:xz D:xy D:xz D:xy D:xy P:x P:z D:xy P:x D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 1.33 1.00 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">20 4 17 18 21 100 20 3 3 100 3 5 5 19 41 84 17 25 20 30 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O Tc W W W Tc W W W W O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.674</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">449</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.14 5.29 4.73 4.30 3.47 2.67 2.48 2.29 2.17 2.17 1.93 1.83 1.71 1.69 1.65 1.54 1.52 1.38 1.37 1.23 1.19 1.18 1.14 1.14 1.10 1.09 1.07 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:x2-y2 D:x2-y2 D:yz P:x D:xz D:xy D:xz D:xy D:z2 D:yz D:x2-y2 P:x P:z D:xz P:y P:y P:x P:x P:x D:x2-y2 D:xz D:yz P:x D:yz D:z2 P:z D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.00 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">5 2 18 5 47 20 19 3 18 17 20 19 40 47 2 43 53 21 79 43 17 18 19 94 4 101 79 3 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W O W W W W W W W O O W O O O O O W W W O W Tc O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.666</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.16 5.61 5.03 4.64 3.46 3.12 2.47 2.40 2.27 2.22 2.06 1.92 1.91 1.89 1.80 1.80 1.77 1.77 1.55 1.52 1.48 1.46 1.43 1.33 1.27 1.27 1.20 1.06 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:xz D:xy D:xy D:x2-y2 D:xz D:xz D:xz P:x P:x D:xy P:x P:z D:xz P:z P:x D:z2 P:y P:y D:xy D:yz P:x D:z2 P:x D:z2 D:xz D:xz D:z2 P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -6.681 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 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 1.00 0.80 1.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">14 9 15 8 10 13 8 86 65 103 78 49 9 64 87 13 93 63 7 12 68 7 81 102 12 103 10 54 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W O O Tc O O W O O W O O W W O W O Tc W Tc W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.627</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">451</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.24 5.62 5.12 3.51 3.40 3.39 2.40 2.36 2.27 1.99 1.97 1.91 1.89 1.86 1.75 1.69 1.60 1.49 1.48 1.47 1.45 1.45 1.44 1.24 1.18 1.17 1.13 1.11 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">D:xz D:xy D:xz D:xy D:x2-y2 D:z2 D:xy P:x D:z2 D:z2 P:x D:xy D:yz D:yz D:xz P:x D:xz P:x D:x2-y2 D:z2 P:z P:x P:z P:z D:xz P:x D:x2-y2 P:z D:xz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">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 1.33 1.00 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">14 15 10 9 8 13 10 87 7 8 86 7 12 15 12 78 13 65 103 10 49 56 64 23 9 58 12 82 8 93 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W O W W O W W W W O W O Tc W O O O O W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.609</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.60 5.50 4.93 4.08 3.91 3.81 3.77 3.13 2.79 2.15 1.94 1.86 1.82 1.81 1.72 1.68 1.66 1.61 1.51 1.48 1.46 1.45 1.35 1.20 1.13 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:z2 D:z2 D:z2 D:xy D:yz D:xz D:xy D:x2-y2 D:xz P:y D:xz D:xz D:xy D:yz P:y P:z P:x D:x2-y2 P:z D:x2-y2 P:z P:x P:y D:x2-y2 D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">10 12 7 8 14 7 15 12 13 13 59 9 14 8 13 56 60 58 9 90 15 69 70 89 12 9 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W O W W W W 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">-1.550</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.54 5.00 4.92 4.34 3.41 3.15 2.88 2.58 2.55 2.53 2.26 2.17 2.10 1.89 1.89 1.86 1.80 1.67 1.63 1.54 1.51 1.47 1.42 1.42 1.29 1.25 1.19 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:xz D:x2-y2 D:xz D:xy D:xz D:z2 P:z D:xy D:xz P:x D:xz D:z2 D:z2 P:x D:z2 P:x P:x P:y D:xy D:xy D:xy D:xy P:x P:z P:x D:z2 D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.00 0.80 1.33 1.00 1.33 1.33 1.33 1.00 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">3 18 4 5 20 3 30 19 18 34 19 101 17 41 100 21 47 53 100 17 3 20 79 42 94 20 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O W W O W Tc W O Tc O O O Tc 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">-1.538</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.78 5.47 5.07 4.72 4.36 3.06 2.71 2.57 1.97 1.81 1.72 1.71 1.66 1.59 1.56 1.47 1.47 1.43 1.38 1.38 1.35 1.31 1.31 1.28 1.22 1.17 1.14 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:z2 D:z2 D:xz D:xy D:yz D:xy D:z2 D:xy D:x2-y2 D:x2-y2 P:z P:x D:xz P:y D:x2-y2 P:z P:y D:x2-y2 D:yz D:xy P:z D:xz P:z D:xy P:x D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">20 2 17 5 4 17 2 18 18 3 2 35 25 19 26 5 27 95 19 3 5 40 3 75 19 36 18 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W O O W O W O O W W W O W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">455</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.14 5.45 4.68 4.45 3.61 3.06 2.83 2.26 2.07 1.98 1.97 1.86 1.86 1.71 1.70 1.67 1.62 1.56 1.34 1.32 1.28 1.25 1.23 1.22 1.19 1.07 1.03 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:z2 D:xy D:x2-y2 D:xz D:z2 D:xz D:xz D:yz D:x2-y2 D:yz P:z D:xy P:x D:xy P:x D:xz D:xz D:xy P:x P:x D:x2-y2 P:x P:y P:x P:z D:z2 P:z D:z2 P:z P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">3 5 18 20 18 4 3 5 100 2 30 19 21 20 47 2 18 3 34 35 2 41 53 95 94 20 42 100 44 25 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W Tc W O W O W O W W W O O W O O O O W O Tc O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.472</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">456</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.30 6.34 4.51 4.16 3.72 3.48 3.13 2.93 2.53 2.53 2.22 1.95 1.84 1.78 1.74 1.63 1.59 1.52 1.43 1.39 1.32 1.27 1.23 1.19 1.09 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 D:xz D:xy D:xy D:z2 D:xy D:z2 P:x D:xy P:x D:z2 D:xz P:x D:yz P:x P:z D:yz P:z P:z P:y P:z D:x2-y2 D:z2 D:z2 D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 6 14 6 12 11 8 97 10 66 9 9 99 13 67 91 7 61 92 59 96 6 7 13 15 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O W O W W O W O O W 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">-1.427</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.17 4.88 4.41 3.89 3.47 2.96 2.70 2.34 2.26 2.25 2.25 2.23 2.02 1.99 1.81 1.70 1.52 1.52 1.39 1.38 1.32 1.28 1.28 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:z2 D:xy D:xy D:x2-y2 D:xz D:xz D:xz D:xy D:x2-y2 D:xz D:x2-y2 P:y D:xz D:z2 D:z2 P:z P:x P:z P:y D:xz P:y P:x D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -6.681 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 1.00 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.00 1.00 1.00 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">12 102 10 103 7 7 15 12 14 102 102 103 89 10 13 103 57 69 68 59 9 82 54 12 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W Tc W Tc W W W W W Tc Tc Tc O W W Tc O O O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.419</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.56 6.14 4.66 4.51 3.59 3.42 2.73 2.18 2.11 1.79 1.69 1.67 1.65 1.38 1.35 1.32 1.07 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:xz P:x D:xz D:x2-y2 D:xz D:yz P:z D:xz D:xy D:z2 D:z2 D:z2 D:xz D:x2-y2 D:x2-y2 D:xz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -6.681 -6.681 -6.681 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.33 1.00 1.00 1.00 1.00 1.33 0.80 1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">103 38 100 101 101 103 38 15 100 7 8 12 7 102 13 6 11 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc O Tc Tc Tc Tc O W Tc W W W W Tc W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.21 6.00 5.25 4.10 3.73 3.24 3.23 2.79 2.65 2.34 2.28 2.15 1.98 1.68 1.63 1.56 1.45 1.43 1.28 1.28 1.26 1.22 1.21 1.20 1.16 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:xz D:xz D:xy D:xy D:z2 D:xy D:z2 P:x P:x D:z2 D:xy D:xz P:x P:x D:x2-y2 D:xz P:z D:z2 P:z D:z2 P:z D:yz D:yz P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 16 4 1 18 16 2 51 32 19 20 19 33 50 16 5 22 3 31 17 52 3 17 26 28 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O O W W W O O W W O W O W O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.323</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.86 3.69 3.48 3.42 3.29 2.96 2.60 2.58 2.45 2.34 1.95 1.63 1.61 1.58 1.43 1.43 1.36 1.31 1.25 1.21 1.16 1.15 1.11 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xz D:xz D:z2 D:z2 D:xz D:x2-y2 D:xy D:yz D:xy D:yz P:x D:x2-y2 D:xz D:x2-y2 D:x2-y2 D:xy P:y P:y D:z2 D:x2-y2 D:x2-y2 D:z2 D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">14 103 6 13 8 9 11 7 10 103 15 38 12 12 8 101 11 77 49 6 9 13 15 100 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W Tc W W W W W W W Tc W O W W W Tc W O O W W W W Tc O</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">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.89 5.32 4.29 3.95 3.51 3.06 3.01 2.84 2.71 1.83 1.80 1.77 1.70 1.62 1.61 1.55 1.54 1.47 1.42 1.42 1.32 1.26 1.19 1.16 1.10 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz D:xy D:xy P:y P:z P:x P:y D:xy D:z2 D:z2 D:xy P:x P:z D:xz D:xz P:y D:yz D:xz P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.00 0.80 1.00 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.00 1.33 1.33 0.80 1.00 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">101 2 101 17 5 17 101 2 20 18 55 34 35 94 4 17 3 100 95 24 20 100 26 2 19 75 3 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc W Tc W W W Tc W W W O O O O W W W Tc O O W Tc O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.235</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.91 3.68 3.44 3.38 3.29 2.64 2.63 2.29 2.09 2.02 1.95 1.80 1.79 1.67 1.65 1.64 1.54 1.51 1.47 1.30 1.30 1.26 1.18 1.15 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xz D:xz D:x2-y2 D:xy D:yz D:z2 D:yz D:xy D:xz D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:z2 D:x2-y2 P:y D:yz P:y D:xy D:xz P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">4 16 19 1 17 20 18 5 100 2 2 3 16 17 2 3 19 85 17 42 1 100 84 46 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W Tc W W W W W W W W O W O W Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.203</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.53 4.82 4.04 4.02 3.88 3.80 3.30 2.60 2.18 2.08 1.95 1.92 1.89 1.85 1.75 1.65 1.58 1.27 1.23 1.21 1.19 1.18 1.17 1.16 1.12 1.10 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:yz D:xy D:xy D:yz D:xy D:yz D:z2 D:z2 D:xz P:z P:y D:xz D:z2 D:xy D:yz D:xz P:y D:z2 P:z D:z2 P:x P:y D:yz P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 9 13 10 15 9 9 12 10 70 86 8 8 7 15 14 70 7 93 14 65 64 8 58 66 65 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W O O W W W W W O W O W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.147</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.95 6.63 6.01 5.52 3.11 2.54 2.46 2.26 2.25 2.23 2.22 2.08 2.02 2.00 1.75 1.63 1.55 1.54 1.49 1.29 1.18 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:xy D:xy D:yz P:z P:y P:z D:yz P:x P:x D:xz D:xz P:y P:z D:yz P:z D:yz D:z2 D:xy D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 11 11 6 10 99 67 66 14 88 77 6 11 97 88 15 77 11 9 13 8 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W O O O W O O W W O O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.114</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.09 4.30 4.23 4.15 4.10 3.99 3.51 3.40 2.60 2.56 2.56 2.54 2.51 2.46 2.15 1.81 1.67 1.48 1.46 1.42 1.36 1.33 1.27 1.25 1.22 1.18 1.18 1.15 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:xz D:yz D:xy D:yz D:yz D:yz D:yz P:z P:x D:z2 D:yz P:y P:x D:yz P:y P:z D:x2-y2 D:yz D:xz D:z2 D:x2-y2 P:z P:z D:x2-y2 P:y D:x2-y2 P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">13 8 8 7 15 10 14 12 93 60 9 9 64 62 13 23 54 12 7 12 12 8 78 65 7 87 9 70 86 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W O O W W O O W O O W W W W W 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">-1.108</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">466</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.60 4.54 4.34 4.09 3.37 3.21 2.82 2.70 2.06 2.01 1.89 1.77 1.52 1.50 1.50 1.43 1.43 1.37 1.29 1.28 1.17 1.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:z2 D:xy D:xz D:z2 D:xz D:x2-y2 D:xy P:x D:xy P:y P:x P:x P:z D:xy P:y P:z D:yz D:xy P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 11 11 6 6 11 11 7 88 13 77 77 96 88 6 67 99 10 15 66 97 91 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W O W O O O O W O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.107</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">467</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.14 3.57 3.27 3.08 2.86 2.78 2.57 2.54 2.41 2.30 2.30 2.09 1.93 1.65 1.46 1.38 1.31 1.30 1.24 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy D:yz D:z2 D:xy D:xz P:x D:z2 D:xy P:y P:z D:yz D:xz D:x2-y2 P:x D:xy D:xz D:yz D:x2-y2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.00 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">3 18 2 19 18 29 18 17 30 53 4 4 18 27 100 100 3 17 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W O W W O O W W W O Tc Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.091</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">468</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.60 7.10 6.53 5.80 4.44 4.08 3.56 2.55 2.55 2.33 2.26 2.00 1.81 1.72 1.51 1.39 1.35 1.26 1.17 1.16 1.15 1.14 1.12 1.10 1.08 1.04 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 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:xz D:xz P:x P:x D:x2-y2 D:x2-y2 D:xy P:x P:y D:xz P:y D:x2-y2 D:xy P:x D:yz P:z P:z D:z2 P:x D:xy P:z P:y D:yz D:z2 D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 4.055 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.00 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 16 1 16 46 85 2 18 17 52 31 3 22 16 3 28 2 22 52 17 43 1 31 28 16 16 17 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W O O W W W O O W O W W O W O O W O W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.050</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">469</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.21 4.79 3.83 3.44 3.42 2.68 2.23 1.60 1.59 1.56 1.43 1.35 1.31 1.29 1.29 1.25 1.24 1.19 1.14 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:x2-y2 D:yz D:yz D:z2 D:xz D:xz P:y D:xy P:z D:z2 D:xy P:z P:y P:y D:x2-y2 D:yz P:z D:x2-y2 D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 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 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">4 20 8 5 19 19 13 14 41 3 79 4 5 36 36 21 12 18 25 7 17 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W O W O W W O O O W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">470</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.32 10.23 4.95 4.64 4.20 3.49 3.48 3.25 2.94 2.80 2.79 2.66 2.14 2.06 1.77 1.65 1.54 1.53 1.45 1.31 1.28 1.27</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 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:yz D:x2-y2 P:z D:x2-y2 P:z P:y D:yz P:z P:y P:y D:z2 D:z2 D:yz P:z P:y D:yz P:y D:z2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 4.055 -9.089 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">16 1 20 16 50 1 32 33 4 46 51 85 19 4 5 85 41 1 21 16 46 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W O O W O O O W W W O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.033</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">471</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">4.29 3.04 2.68 2.18 2.18 2.02 1.79 1.75 1.70 1.55 1.54 1.51 1.48 1.41 1.40 1.19 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:x2-y2 D:yz D:x2-y2 D:yz D:xy D:xz D:xz D:xy D:x2-y2 D:yz D:xy D:yz D:xy D:z2 D:x2-y2 D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</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 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">8 5 12 20 15 10 13 5 7 19 3 4 19 19 2 18 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">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">-0.978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">472</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.50 8.49 7.42 5.94 4.42 4.29 3.46 3.02 2.72 2.67 2.29 2.17 2.15 2.06 1.96 1.80 1.62 1.59 1.54 1.54 1.27 1.23 1.14 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:xz D:xy D:xz D:x2-y2 D:xz P:y P:z D:z2 P:z D:xy P:x P:x P:x D:xz P:x P:z P:y P:z P:y D:xy D:xz D:xy P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">14 9 13 8 8 90 59 13 64 8 65 86 81 9 68 49 93 93 63 13 103 103 59 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O O W O W O O O W O O O O O W Tc Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.32 6.15 4.42 3.73 2.99 2.91 2.84 2.15 1.97 1.92 1.66 1.53 1.47 1.41 1.38 1.38 1.24 1.20 1.16 1.12 1.10 1.07 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:x2-y2 D:xz D:xy D:xz D:x2-y2 D:xy P:y D:x2-y2 P:x D:z2 D:xz D:z2 P:x P:z P:z D:xy P:y D:x2-y2 D:z2 P:x D:yz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">4 18 3 19 20 2 5 75 17 41 3 19 17 79 26 30 18 53 19 19 26 19 24 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W O W O W W W O O O W O W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.933</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.54 4.52 3.65 3.07 3.03 2.99 2.93 2.59 2.32 2.29 2.06 1.81 1.61 1.60 1.60 1.57 1.34 1.32 1.19 1.19 1.15 1.12 1.10 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:yz D:yz D:z2 D:xz D:xy D:xy D:z2 D:xz D:xz D:yz D:yz D:xy P:z D:xz D:yz P:x D:yz D:yz P:z P:y P:y D:x2-y2 D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">7 10 15 15 12 6 13 11 10 14 8 13 11 78 13 14 60 9 12 99 87 64 10 8 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W O W W O 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">-0.916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">475</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.49 2.98 2.50 2.43 2.36 2.24 2.15 2.05 2.04 1.91 1.75 1.62 1.57 1.55 1.42 1.39 1.21 1.12 1.11 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:xy D:xy D:xz D:z2 D:xy D:z2 D:yz D:xz D:x2-y2 D:xz D:xz D:xz D:yz D:xz D:yz D:z2 D:yz D:z2 D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">12 15 9 14 7 17 11 14 10 8 13 20 2 9 103 5 10 20 6 14 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.873</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">9.84 6.95 6.95 5.86 4.27 4.08 3.98 3.78 2.52 2.07 1.81 1.73 1.69 1.63 1.57 1.55 1.38 1.28 1.19 1.16 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:x2-y2 D:z2 D:x2-y2 D:xz P:z P:y D:xz D:xy P:y D:xy D:xz P:y D:z2 D:xy P:z D:z2 P:x P:z P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -6.681 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.00 1.00 1.33 1.00 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">102 102 103 103 103 82 74 102 103 81 102 10 69 13 15 68 10 49 56 59 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Tc Tc Tc O O Tc Tc O Tc W O W W O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.66 3.43 2.75 2.44 2.18 2.08 2.06 2.02 1.95 1.75 1.68 1.53 1.47 1.41 1.37 1.35 1.28 1.12 1.12 1.11 1.04 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">D:xy D:xy D:yz D:yz D:z2 D:yz D:xz D:yz D:yz D:z2 D:xz P:x D:xz D:xz D:xz D:xy D:yz D:x2-y2 P:z D:xy D:z2 D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 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="23">17 16 20 19 1 18 2 5 4 5 103 27 20 18 1 18 3 20 50 1 16 14 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W Tc O 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">-0.855</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">478</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">11.19 8.30 5.27 4.15 3.38 3.12 3.07 3.06 2.52 2.27 2.12 2.08 1.99 1.80 1.68 1.48 1.45 1.28 1.22 1.22 1.20 1.15 1.12 1.10 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:xy D:x2-y2 D:xz P:x P:y D:xz P:x D:xz D:xy P:z P:x D:z2 P:z P:x D:xz D:xy P:x D:yz P:x P:z P:y D:xy P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 4.055 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 4.055 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.00 0.80 1.33 0.80 1.33 1.33 1.33 0.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 19 18 3 41 75 19 79 18 3 26 26 3 42 34 4 4 83 4 75 30 53 19 83 94 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W O W W O O W O O W W O W O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.789</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.99 4.76 4.20 4.18 3.92 2.81 2.54 2.40 2.08 2.02 1.87 1.70 1.56 1.55 1.48 1.34 1.34 1.33 1.27 1.26 1.25 1.12 1.04 1.03 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:xz D:x2-y2 D:z2 D:xy D:xy D:xz D:yz D:xz D:x2-y2 D:yz P:y D:xy D:xz P:x P:x P:x D:z2 D:x2-y2 P:z D:z2 D:xz P:z P:x D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 1.00 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">4 2 17 5 19 20 4 3 100 19 24 4 100 95 41 79 1 18 55 16 2 42 47 17 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W Tc W O W Tc O O O W W O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">480</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.67 3.67 3.54 3.25 2.98 2.87 2.52 2.40 2.31 2.30 2.14 1.93 1.93 1.86 1.78 1.77 1.68 1.61 1.61 1.59 1.50 1.33 1.33 1.30 1.17 1.11 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">D:xz D:x2-y2 D:xy D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:yz D:yz P:x D:xy D:z2 P:y P:z D:yz D:z2 D:z2 D:yz D:yz P:z D:z2 D:xy P:y D:xz P:y P:x D:yz D:xy D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">11 12 6 7 12 6 8 10 13 60 7 15 92 91 9 6 11 8 14 61 13 10 96 7 97 67 15 14 15 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W O W W O O W W W W W O W W O W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.681</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">481</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.32 7.21 6.05 5.99 5.35 5.32 4.34 2.51 2.45 2.16 2.00 1.91 1.90 1.87 1.87 1.81 1.65 1.64 1.47 1.41 1.33 1.29 1.28 1.26 1.11 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 2 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:x2-y2 D:xy P:y D:xz P:z D:xz D:xz D:xy D:xy P:y D:yz P:z P:z D:x2-y2 D:z2 P:y D:x2-y2 P:x D:xy D:xz D:xz D:xz P:x D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -9.089 -6.681 -9.089 -4.492 -6.681 -6.681 -6.681 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 4.055 -4.492 -4.492 -4.492 -9.089 -4.492 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 1.00 0.80 1.33 1.00 1.33 0.80 1.00 1.00 1.00 1.33 0.80 1.33 1.33 1.00 0.80 1.33 0.80 1.33 0.00 0.80 0.80 0.80 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">101 101 5 40 101 44 20 100 101 100 24 5 34 55 100 20 94 2 21 5 2 17 3 47 18 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc Tc W O Tc O W Tc Tc Tc O W O O Tc W O W 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">-0.650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.70 3.50 3.35 3.26 2.86 2.80 2.51 2.47 2.33 2.06 2.04 2.04 1.99 1.87 1.67 1.65 1.60 1.56 1.54 1.39 1.37 1.34 1.25 1.24 1.24 1.22 1.19 1.14 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:yz D:yz D:xy D:yz D:z2 D:z2 D:x2-y2 P:x D:z2 D:xy D:xy P:z D:z2 P:y D:xz P:y D:yz P:x D:xz D:yz P:z P:y D:xy D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 17 2 16 2 19 20 16 4 1 5 18 27 16 17 20 31 3 22 5 51 3 33 17 5 28 52 4 19 18</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 O W O W O W O W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.99 5.95 5.47 5.23 5.06 4.59 2.82 2.55 2.39 2.27 2.26 2.09 2.04 1.60 1.57 1.56 1.53 1.43 1.43 1.41 1.40 1.31 1.26 1.23 1.21 1.16 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 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:xy D:xz D:x2-y2 D:x2-y2 P:x P:y P:y P:z D:xz P:y P:z D:yz P:x P:x D:x2-y2 D:xz P:x P:z D:z2 D:x2-y2 D:xz D:z2 P:x S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -6.681 -4.492 -6.681 -9.089 -2.078 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.00 0.80 1.00 1.33 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">103 7 15 10 12 103 56 57 69 82 103 74 89 12 87 69 7 12 89 23 10 102 9 102 78 108 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc W W W W Tc O O O O Tc O O W O O W W O O W Tc W Tc O Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">32.85 30.01 6.12 5.84 2.34 -1.89 1.83 -1.49 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">2 2 3 3 1 2 1 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S D:xz S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-2.078 -2.078 0.215 0.215 0.031 0.790 0.031 0.790 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">109 108 109 108 109 101 108 103 14 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs Cs Tc Cs Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">11.60 10.28 7.32 5.60 5.41 3.60 3.54 2.74 2.48 2.16 1.57 1.50 1.38 1.38 1.29 1.27 1.22 1.22 1.19 1.15 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:x2-y2 D:xz S S D:xy D:z2 P:y P:x D:x2-y2 D:yz D:z2 D:xy P:z D:x2-y2 D:xy D:xz D:x2-y2 P:x D:yz P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -2.078 -2.078 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 1.00 1.00 1.00 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">100 100 100 109 108 100 17 35 95 2 2 4 2 95 4 5 20 19 35 19 84 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc Cs Cs Tc W O O W W W W O 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">-0.176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">32.24 31.22 1.76 1.66 1.63 1.18 1.15 1.13 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">2 2 1 2 1 3 2 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S D:z2 P:y D:x2-y2 S P:z S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-2.078 -2.078 -6.681 -0.436 -6.681 1.232 -0.436 1.232 -6.681 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.00 1.00 1.00 0.00 1.00 0.00 0.00 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">108 109 100 109 100 11 108 6 100 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Tc Cs Tc W Cs W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.087</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">487</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">19.80 9.88 7.01 3.65 3.40 3.02 2.99 2.87 2.69 2.39 -2.11 2.04 2.03 2.02 1.80 -1.64 -1.64 1.62 1.33 1.32 1.28 1.27 1.23 -1.19 1.16 -1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 1 2 2 1 3 1 3 3 3 2 3 3 3 3 1 2 2 3 3 1 1 1 1 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S S S S S S S S S S S S S D:yz D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">0.790 -5.054 0.790 2.471 -6.493 1.232 -5.054 1.232 1.232 1.232 0.790 1.232 1.232 1.232 1.232 -5.054 0.790 2.471 1.232 1.232 -6.493 -4.492 -4.492 -5.054 1.232 3.429 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 2.00 0.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 1.00 0.80 0.80 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">102 102 100 104 104 13 100 15 8 10 101 19 11 6 4 103 103 105 12 7 105 6 11 101 1 107 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc Tc Tc H H W Tc W W W Tc W W W W Tc Tc H W W H W W Tc W P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">24.58 12.51 6.61 5.63 5.04 4.17 3.95 3.31 2.58 -2.30 2.27 1.80 1.43 1.41 1.39 1.36 -1.30 1.25 1.13 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">2 1 2 2 1 3 1 3 2 2 2 3 2 1 3 2 2 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S P:x S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">0.790 -5.054 0.790 2.471 -6.493 1.232 -5.054 1.232 -2.078 2.224 -2.078 1.232 -5.688 -6.493 1.232 2.471 3.429 1.232 1.232 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 2.00 0.00 0.00 1.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 2.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">100 100 102 105 105 19 102 4 109 106 108 17 19 104 2 104 106 16 1 5 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Tc H H W Tc W Cs P Cs W W H W H P W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.98 6.14 5.02 4.79 3.58 3.45 3.44 2.82 2.25 2.16 1.88 1.53 1.46 1.45 1.21 1.12 1.09 1.08 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">2 1 1 1 1 2 1 1 1 1 1 1 1 2 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S D:yz D:yz D:z2 S S S D:z2 D:xy D:yz P:y D:yz S P:z S P:y D:xz D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.790 -5.054 -4.492 -4.492 -4.492 2.471 -6.493 -14.028 -4.492 -4.492 -4.492 -9.089 -4.492 3.429 -9.089 1.232 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 2.00 0.80 0.80 0.80 0.00 1.00 2.00 0.80 0.80 0.80 1.33 0.80 0.00 1.33 0.00 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">102 102 11 6 14 104 104 107 9 8 9 88 15 107 77 15 67 13 12 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc W W W H H P W W W O W P O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.085</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.60 4.38 4.09 3.97 3.26 3.23 2.64 2.58 2.29 1.92 1.91 1.89 1.85 1.76 1.68 1.63 1.61 1.60 1.58 1.55 1.48 1.31 1.30 1.29 1.24 1.18 1.18 1.16 1.13 1.12 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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="31">S D:yz D:yz D:xy D:xz S D:x2-y2 S D:xy D:xy P:x D:xy D:z2 D:x2-y2 S D:xz P:y S D:yz S P:y D:x2-y2 D:x2-y2 P:x D:z2 P:z D:xz P:z P:x D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">0.790 -4.492 -4.492 -4.492 -4.492 -14.028 -4.492 -5.054 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 3.429 -4.492 -9.089 -6.493 -4.492 2.471 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.80 0.80 0.80 0.80 2.00 0.80 2.00 0.80 0.80 1.33 0.80 0.80 0.80 0.00 0.80 1.33 1.00 0.80 0.00 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">100 16 1 18 18 106 3 100 2 1 29 3 4 16 106 3 46 105 17 105 31 17 1 30 19 52 17 85 53 5 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc W W W W P W Tc W W O W W W P W O H W H O W W O W O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.153</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.17 3.86 3.28 3.27 2.92 2.80 2.78 2.74 2.46 2.41 2.19 2.12 2.05 1.90 1.83 1.74 1.70 1.66 1.65 1.58 1.53 1.47 1.33 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:x2-y2 D:x2-y2 D:z2 D:xy D:xy D:xz D:z2 D:z2 D:x2-y2 D:xy D:xy D:z2 D:yz D:xz D:yz P:x D:x2-y2 D:yz D:xz D:x2-y2 D:x2-y2 D:yz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 11 6 15 12 8 8 9 10 10 11 13 14 15 7 7 62 7 11 13 13 14 12 78 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W O 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">0.207</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">8.51 8.18 8.10 8.08 5.02 5.01 4.55 4.28 -3.88 2.77 2.44 -2.43 2.21 2.10 -2.06 2.02 1.89 1.77 1.70 1.69 1.61 1.46 1.37 1.34 1.27 1.23 1.15 1.10 1.09 1.08 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 3 3 2 2 2 2 2 2 2 2 2 2 2 2 2 2 1 1 1 1 2 2 1 2 1 3 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S P:x P:y S P:z P:z S P:y S S S S D:z2 S S S P:x S S S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 2.224 -0.436 0.790 2.224 -0.436 0.790 2.224 0.790 0.790 2.471 -5.054 -4.492 -6.493 -6.493 2.471 -0.436 -5.054 -5.688 -5.054 1.232 -4.492 1.232 -5.688 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 1.00 1.00 0.00 0.00 2.00 2.00 2.00 0.00 0.80 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">20 5 7 12 12 7 20 5 107 108 102 106 109 103 106 101 100 105 102 20 105 104 104 109 103 2 100 2 5 19 17 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W P Cs Tc P Cs Tc P Tc Tc H Tc W H H H Cs Tc W Tc W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.04 3.48 3.34 3.05 3.03 2.38 2.29 2.28 2.13 2.00 1.95 1.85 1.82 1.81 1.79 1.76 1.76 1.72 1.42 1.37 1.27 1.25 1.20 1.16 1.15 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 3 3 1 1 3 2 2 3 1 1 1 1 1 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:yz D:z2 D:z2 D:z2 D:yz D:x2-y2 D:x2-y2 D:xy S S D:xz D:x2-y2 S S S S D:x2-y2 D:yz D:z2 D:xz D:xy S S D:yz D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 1.232 1.232 -4.492 -4.492 1.232 -5.688 -5.688 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -5.688 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 0.00 2.00 2.00 0.00 0.80 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 1 5 4 16 16 20 1 2 12 7 17 4 20 20 5 5 16 5 20 18 1 12 7 17 3 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.317</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="42">4.97 4.80 4.36 -4.03 3.97 3.89 -3.84 3.48 3.37 3.37 3.34 3.32 3.24 2.99 2.99 2.72 2.44 2.42 2.41 2.37 2.35 2.29 2.25 -2.21 2.09 2.08 2.07 2.07 1.91 1.81 1.80 1.75 1.56 1.56 1.51 -1.45 1.41 1.41 -1.26 1.16 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="42">1 3 3 2 1 2 2 2 3 1 3 3 2 2 3 1 3 2 3 3 3 2 2 1 2 2 2 3 3 2 2 3 2 2 2 1 2 2 1 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="42">S S S S S S S S S S S S S S S S S P:x S S S P:x S S S S S S S S S S S S S S S S P:x P:z S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">-6.493 1.232 1.232 0.790 -5.054 2.471 0.790 -5.688 1.232 -6.493 1.232 1.232 -5.688 2.471 1.232 -5.054 1.232 -0.436 1.232 1.232 1.232 -0.436 -5.688 -5.054 -5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 -5.054 -5.688 -5.688 -0.773 -0.436 0.790 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">1.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="42">104 6 11 101 102 104 103 6 5 105 1 20 11 105 16 100 2 108 7 12 8 109 1 101 20 5 16 17 13 8 2 10 7 12 17 103 13 10 102 109 100 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">H W W Tc Tc H Tc W W H W W W H W Tc W Cs W W W Cs W Tc W W W W W W W W W W W Tc W W Tc Cs Tc Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">495</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">6.77 5.65 5.62 5.33 5.29 4.68 4.67 3.96 3.76 3.65 3.21 3.06 2.70 2.22 2.10 2.05 1.92 -1.82 1.78 1.75 1.66 1.66 1.57 1.57 1.51 1.50 1.50 1.44 1.44 1.28 1.18 -1.16 1.14 -1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 1 1 3 3 2 3 2 2 3 2 2 3 1 3 2 3 2 1 3 2 1 3 2 3 2 1 1 2 2 3 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S S S S S S S S S S S P:x D:xz S S S S S S S S D:x2-y2 S S S S S P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 -5.054 -5.054 0.215 0.215 -5.688 1.232 0.790 0.790 1.232 -5.688 -5.688 1.232 -6.493 1.232 -5.688 1.232 2.224 0.031 1.232 2.471 -5.054 1.232 -5.688 1.232 -5.688 -6.493 0.031 -5.688 -5.688 1.232 0.790 2.471 -0.436 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 1.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">8 103 101 109 108 8 13 103 101 1 13 1 2 105 4 2 12 107 109 6 105 100 17 6 16 16 104 108 4 17 7 100 104 109 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W Tc Tc Cs Cs W W Tc Tc W W W W H W W W P Cs W H Tc W W W W H Cs W W W Tc H Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.494</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">11.28 10.07 9.82 8.10 7.39 6.57 6.03 4.89 4.00 3.24 -3.21 2.97 2.93 -2.80 2.78 -2.65 2.62 2.32 2.27 -2.20 2.08 2.03 1.91 1.74 1.66 1.64 1.58 1.40 1.40 1.34 1.29 1.10 1.07 -1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 3 2 2 2 2 3 3 2 3 2 2 3 2 3 3 3 2 2 3 2 2 2 2 2 3 2 2 2 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S S S S S P:y S S P:y S P:z S S S P:z S S S S S S P:x S P:x S S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 1.232 1.232 2.224 1.232 -5.688 2.224 1.232 2.224 1.232 1.232 1.232 2.224 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 -0.436 1.232 -0.436 -5.688 -5.688 1.232 1.232 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">11 16 6 1 11 16 6 1 13 10 107 19 13 106 15 107 17 8 2 106 19 4 10 15 17 8 109 7 108 4 2 5 20 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W W W P W W P W P W W W P W W W W W W Cs W Cs W W W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.539</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">497</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">4.17 4.16 3.78 3.62 3.59 3.21 3.13 2.96 2.96 2.89 2.76 2.51 2.47 2.45 2.36 2.27 2.03 1.96 1.95 1.92 1.81 1.80 1.69 1.52 1.46 1.45 1.37 1.37 1.36 1.35 1.34 1.30 1.22 1.15 1.13 -1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">2 3 3 3 2 3 2 2 3 2 2 3 2 3 2 2 2 3 3 2 1 1 3 2 2 3 2 2 2 1 2 1 1 3 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:y S S S S S S P:z S S S S S S S P:x S S S P:x D:yz D:z2 S S S S S P:y S D:yz P:z P:y D:x2-y2 S D:x2-y2 P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-0.436 1.232 1.232 1.232 -5.688 1.232 -5.688 -0.436 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 -0.436 -5.688 1.232 1.232 -0.436 -4.492 -4.492 1.232 -5.688 -5.688 1.232 -5.688 -0.436 -5.688 -4.492 -0.436 -5.485 -4.492 1.232 -4.492 2.224 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 0.80 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.80 0.00 1.00 0.80 0.00 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">109 12 20 7 12 11 7 108 5 20 11 15 5 6 15 108 6 1 16 109 9 14 17 1 16 10 17 108 10 14 109 107 3 2 9 107 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">Cs W W W W W W Cs W W W W W W W Cs W W W Cs W W W W W W W Cs W W Cs P W W W P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.64 7.30 6.94 6.58 6.55 6.44 5.46 5.15 4.92 4.77 4.74 4.66 4.53 4.34 2.68 2.67 2.62 2.57 2.24 2.19 1.94 -1.91 -1.77 -1.58 1.50 1.47 -1.44 1.42 1.39 1.37 -1.34 1.26 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 3 3 2 2 2 3 3 2 2 2 3 2 2 3 3 3 3 2 2 2 3 1 2 2 3 2 2 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 S S S S S P:x P:z P:y S S P:y S S S P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 2.224 2.224 2.224 1.232 -5.054 2.224 -5.688 1.232 0.790 2.224 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">10 4 15 8 19 13 10 4 15 17 2 19 8 13 3 17 2 9 14 18 5 106 107 107 7 100 106 3 20 100 107 9 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W W W W W W W W W W W W P P P W Tc P W W Tc P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.67 5.19 4.91 4.66 4.29 3.85 3.24 2.90 2.61 2.39 2.31 2.03 2.02 1.94 1.90 1.78 1.74 -1.64 1.53 1.51 1.50 1.48 1.45 1.28 1.19 -1.18 1.16 1.13 1.06 1.04 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 3 1 3 3 2 2 2 1 1 3 2 2 1 3 1 2 2 2 1 2 3 1 1 3 2 3 3 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:yz S D:yz S S S S S D:x2-y2 D:x2-y2 S S S D:xy S D:yz S P:y S D:z2 S S D:yz P:y S P:z S S P:z S P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 1.232 -4.492 1.232 1.232 -5.688 -5.688 -5.688 -4.492 -4.492 1.232 -5.688 -2.078 -4.492 1.232 -4.492 -5.688 2.224 -2.078 -4.492 -5.688 1.232 -4.492 -9.089 1.232 2.224 1.232 0.215 -9.089 -5.688 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.00 0.80 0.00 0.00 2.00 2.00 2.00 0.80 0.80 0.00 2.00 1.00 0.80 0.00 0.80 2.00 0.00 1.00 0.80 2.00 0.00 0.80 1.33 0.00 0.00 0.00 0.00 1.33 2.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">6 2 11 16 1 2 16 1 11 13 19 8 109 8 17 9 19 106 108 14 17 8 14 88 15 106 20 109 86 13 77 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W Cs W W W W P Cs W W W W O W P W Cs O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.635</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">500</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.15 8.24 6.93 6.70 6.58 6.34 6.28 5.26 4.71 3.75 3.68 3.34 3.20 -2.80 2.78 2.75 2.73 2.30 2.23 2.07 1.95 1.81 1.44 1.29 1.17 1.11 1.09 1.07 -1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 3 3 3 2 2 2 3 3 3 2 3 2 2 2 3 2 2 2 2 3 2 1 1 2 1 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 P:x S S S P:y S S P:z S P:x D:x2-y2 S S D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 1.232 1.232 -5.688 -5.688 -5.688 1.232 1.232 1.232 -5.688 1.232 2.224 -5.688 -5.688 0.215 -0.436 0.790 -5.688 -0.436 0.215 -0.436 -4.492 -5.054 0.790 -4.492 -0.436 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.80 2.00 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">17 17 10 2 15 15 10 2 4 13 19 4 8 106 19 13 108 108 100 8 109 109 109 15 103 103 10 108 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W P W W Cs Cs Tc W Cs Cs Cs W Tc Tc W Cs P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">501</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.11 4.09 3.60 3.59 2.72 2.37 2.22 2.09 2.04 1.99 1.89 1.79 1.77 1.77 1.63 1.63 1.60 1.57 1.56 1.48 1.44 1.42 1.22 1.20 1.16 1.13 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 3 2 3 2 1 3 1 2 2 2 3 3 1 1 1 2 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:x2-y2 D:yz D:yz D:x2-y2 D:xy S S S S D:z2 S D:yz S S S S S D:z2 D:yz P:y S P:x D:xy P:z D:x2-y2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 1.232 -5.688 1.232 -5.688 -4.492 1.232 -4.492 -5.688 -5.688 -5.688 1.232 1.232 -4.492 -4.492 -9.089 -5.688 -9.089 -4.492 -9.089 -4.492 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.00 2.00 0.00 2.00 0.80 0.00 0.80 2.00 2.00 2.00 0.00 0.00 0.80 0.80 1.33 2.00 1.33 0.80 1.33 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">3 1 16 1 18 10 10 11 4 18 6 19 11 19 6 4 15 4 4 46 15 30 16 85 16 19 19</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 O W O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">502</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.79 3.62 3.58 3.48 2.61 2.17 2.15 2.14 1.98 1.88 1.87 1.80 1.78 1.71 1.64 1.63 1.62 1.61 1.60 1.59 1.40 1.22 1.14 1.13 1.12 1.12 1.12 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 3 1 3 1 2 1 1 1 2 1 1 2 3 2 1 2 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:yz D:z2 D:z2 D:xy D:xz D:yz D:x2-y2 D:x2-y2 S D:yz S D:z2 P:y P:z D:yz D:z2 P:z D:x2-y2 P:y P:x S P:y D:x2-y2 P:z D:x2-y2 S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 0.031 0.031 0.031 -4.492 0.031 0.215 0.031 0.215 0.031 -0.436 -9.089 -4.492 -4.492 -0.436 -4.492 -9.089 -0.436 1.232 -0.504 -4.492 -0.504 -4.492 1.232 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 0.80 0.00 0.80 1.33 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">10 9 15 14 109 108 109 15 108 108 108 109 109 109 87 14 9 108 10 78 108 16 15 14 10 3 1 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W Cs Cs Cs W Cs Cs Cs Cs Cs Cs O W W Cs W O Cs W W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">13.83 11.81 3.07 2.76 2.69 2.68 2.65 2.34 2.28 2.27 2.23 1.98 1.95 1.93 1.87 1.79 1.60 1.53 1.49 1.43 1.28 1.27 1.23 1.20 1.16 1.14 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 2 3 3 2 2 3 3 3 2 3 3 2 2 3 2 3 2 2 2 1 3 2 2 1 3 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z S S S S S S S S S S S P:y P:x S P:z S S S S D:xz S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-0.436 -0.436 -5.688 0.215 1.232 -5.688 -5.688 1.232 0.215 1.232 -5.688 1.232 1.232 -0.436 -0.436 1.232 -0.436 1.232 -5.688 -5.688 -5.688 0.031 1.232 0.790 -5.688 0.031 1.232 0.790 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">108 109 8 108 8 19 4 19 109 4 13 6 11 109 109 13 108 12 12 11 6 109 5 103 5 108 20 101 18 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Cs Cs W Cs W W W W Cs W W W W Cs Cs W Cs W W W W Cs W Tc W Cs W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.821</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">504</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.11 3.89 3.48 3.27 2.76 2.67 2.57 2.51 2.35 2.26 2.17 2.13 2.09 2.03 1.99 1.91 1.73 1.66 1.61 1.60 1.55 1.49 1.40 1.30 1.27 1.20 1.16 1.10 1.06 1.05 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 2 2 3 2 3 3 3 3 1 1 3 2 2 1 1 2 1 2 3 1 2 2 2 2 3 3 1 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S D:yz D:yz S S S D:yz D:x2-y2 S D:yz S S D:xz S S P:y S S S D:x2-y2 S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 -5.688 1.232 1.232 0.215 1.232 -4.492 -4.492 1.232 -5.688 -5.688 -4.492 -4.492 -5.688 -4.492 -5.688 1.232 0.031 -5.688 -5.688 -0.436 -5.688 0.215 1.232 -4.492 -5.688 1.232 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 2.00 2.00 0.80 0.80 2.00 0.80 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.80 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">13 7 7 13 12 12 8 4 109 5 16 1 20 8 5 11 11 4 6 20 19 109 16 6 108 1 108 16 1 19 1 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W Cs W W W W W W W W W W W W Cs W W Cs W Cs W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.847</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">3.46 2.70 2.64 2.57 2.55 2.55 2.27 2.19 2.01 1.74 1.73 1.54 1.49 1.44 1.13 1.08 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:x2-y2 D:xy D:z2 D:xy D:z2 D:xz D:yz D:z2 D:xz D:x2-y2 D:xz D:x2-y2 S S D:yz D:z2 D:yz P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 0.215 0.215 0.031 -4.492 -4.492 -9.089 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">3 18 10 2 15 17 9 14 18 17 2 10 108 109 108 9 3 84 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W W W Cs Cs Cs W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">506</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.95 4.51 4.49 4.47 3.57 2.44 2.29 1.96 1.94 1.83 1.75 1.62 1.55 1.46 1.43 1.41 1.36 1.36 1.27 1.25 1.21 1.08 1.06 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 2 1 1 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:xy D:z2 D:x2-y2 D:yz D:z2 D:x2-y2 D:z2 D:yz D:yz D:xy D:yz D:z2 P:x D:z2 P:y D:z2 D:xz S D:xz P:y P:x D:x2-y2 P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -5.688 -4.492 -9.089 -0.504 -4.492 -9.089 1.232</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 1.33 0.80 1.33 0.80 0.80 2.00 0.80 1.33 0.00 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 8 11 11 6 8 13 6 9 11 6 14 14 93 10 70 15 12 12 8 62 8 10 62 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W O W O W W W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">507</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.52 5.89 4.96 4.85 3.69 3.34 3.20 2.32 2.13 2.12 2.09 1.60 1.55 1.54 1.50 1.47 1.27 1.26 1.21 1.16 1.06 1.06 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:xy D:x2-y2 D:xz D:xy D:xz D:xy P:x D:xz P:x P:x P:y P:x P:x P:x D:xz P:y D:yz D:x2-y2 D:z2 D:z2 S P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -0.504 -0.504 -4.492 -0.504 -4.492 -4.492 -4.492 -4.492 -24.020 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.00 0.00 0.80 0.00 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="25">13 12 7 7 7 12 8 64 13 91 23 54 92 13 7 8 12 13 12 12 15 60 54 96 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O W O O O O W W W W W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">508</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.32 9.15 3.31 2.86 2.20 2.09 1.68 1.67 1.45 1.33 1.31 1.28 1.27 1.20 1.16 1.15 1.15 1.14 1.09 1.08 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 2 3 3 3 2 1 1 1 1 2 1 1 1 2 1 1 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S D:x2-y2 D:z2 D:x2-y2 D:xy P:y D:x2-y2 S D:xz S D:xz D:z2 D:xy S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 -5.688 1.232 1.232 1.232 -5.688 -4.492 -4.492 0.031 -4.492 -0.436 -4.492 -5.054 -4.492 -5.688 -4.492 0.031 -4.492 1.232 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 0.80 0.00 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.00 0.80 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">108 109 11 6 11 6 20 16 3 10 108 18 108 17 103 2 20 17 109 2 16 19 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs W W W W W W W W Cs W Cs W Tc W W W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.26 3.18 3.13 3.05 3.04 2.96 2.92 2.66 2.62 2.59 2.47 2.47 2.25 2.04 2.03 1.89 1.85 1.82 1.66 1.57 1.34 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 2 3 2 2 3 1 1 3 1 3 2 2 3 2 2 3 3 2 3 3 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S D:yz D:yz S D:x2-y2 S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 -5.688 1.232 -4.492 -4.492 1.232 -4.492 1.232 -5.688 -5.688 1.232 -5.688 -5.688 1.232 1.232 -5.688 1.232 1.232 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 0.00 2.00 2.00 0.00 0.80 0.80 0.00 0.80 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">10 4 10 17 15 4 16 1 5 11 17 5 8 15 2 19 2 19 13 8 13 20 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.951</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.69 9.02 5.09 4.60 3.53 2.95 2.92 2.78 2.31 2.14 2.05 2.01 1.72 1.50 1.44 1.42 1.16 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:z2 D:yz D:x2-y2 P:y P:z D:z2 D:z2 P:y P:y D:x2-y2 P:z P:y D:yz D:x2-y2 P:y P:z D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -0.504 -9.089 -4.492 -0.504 -9.089 -4.492 -4.492 -0.504 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00 1.33 0.80 0.00 1.33 0.80 0.80 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">20 5 19 5 47 21 19 4 5 50 20 20 79 5 19 19 33 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W O O W W W O W W O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.40 4.02 3.95 3.89 3.89 3.77 3.75 2.36 2.05 1.97 1.86 1.82 1.73 1.62 1.50 1.44 1.40 1.40 1.34 1.33 1.16 1.13 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 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:yz D:x2-y2 D:yz D:yz D:z2 D:x2-y2 D:x2-y2 D:z2 P:z P:z D:x2-y2 D:xy D:x2-y2 P:z P:y D:xy D:z2 P:z D:yz D:xz D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -0.504 -4.492 -4.492 0.031 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.80 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 16 1 1 4 4 16 3 16 41 36 4 16 20 33 36 18 20 4 19 2 109 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O O W W W O O W W W W W Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.992</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.21 5.04 4.75 4.43 3.09 2.96 2.91 2.80 2.75 2.51 2.40 2.38 2.31 2.22 2.03 1.87 1.82 1.75 1.66 1.62 1.52 1.43 1.40 1.20 1.15 1.13 1.10 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 3 2 3 3 2 2 2 1 2 2 2 2 1 3 2 3 3 1 1 1 1 1 1 1 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S S D:z2 S S S S D:yz S S S S D:yz D:yz D:x2-y2 D:xz D:x2-y2 D:xy D:xy S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 -5.688 1.232 1.232 -5.688 -5.688 -5.688 0.031 -5.688 -5.688 -5.688 -5.688 -4.492 1.232 -5.688 1.232 1.232 -4.492 0.031 -4.492 -4.492 0.031 0.031 -4.492 -5.688 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 0.80 0.00 2.00 0.00 0.00 0.80 0.00 0.80 0.80 0.00 0.00 0.80 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">1 1 16 16 6 11 6 11 15 109 18 2 17 3 6 2 10 17 15 11 108 15 17 108 108 2 9 18 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W Cs W W W W W W W W W W Cs W W Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">513</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.88 4.86 4.82 4.63 4.44 4.27 3.78 3.70 3.64 3.53 3.47 3.46 2.76 2.36 2.36 2.18 2.14 2.13 2.07 1.92 1.88 1.39 1.36 1.30 1.30 1.21 1.20 1.10 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 3 2 2 3 3 2 2 2 2 2 1 3 3 3 2 3 1 2 1 1 2 1 1 1 1 3 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 D:z2 S S S S S D:z2 S D:x2-y2 D:yz S D:x2-y2 D:x2-y2 D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -5.688 -4.492 1.232 1.232 1.232 -5.688 1.232 0.031 -5.688 -4.492 -4.492 -5.688 0.031 -4.492 -4.492 -6.493 1.232 1.232 -5.688</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 2.00 2.00 2.00 2.00 2.00 0.80 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 0.80 2.00 0.00 0.80 0.80 1.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">14 9 18 3 18 3 14 9 8 20 5 19 4 4 8 5 20 12 12 108 13 19 19 6 109 9 20 104 13 7 7</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 Cs W W W W Cs W W H W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.097</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.27 3.22 2.99 2.97 2.67 2.39 2.33 2.24 2.20 2.10 2.09 2.01 1.93 1.77 1.52 1.46 1.39 1.34 1.23 1.20 1.09 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 3 1 3 2 3 3 1 2 3 2 1 2 2 1 1 3 2 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S D:yz S P:z S S D:x2-y2 P:z S S D:xz S S S D:x2-y2 S P:y S S D:xy S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-5.688 1.232 -4.492 1.232 -0.436 0.215 1.232 -4.492 -0.436 1.232 -5.688 -4.492 -5.688 0.790 -6.493 -4.492 1.232 -0.436 -6.493 -5.688 -4.492 2.471 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 0.80 2.00 0.00 1.00 0.80 0.00 0.00 1.00 2.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">10 9 8 10 109 109 4 9 108 14 9 7 4 102 105 5 8 108 104 14 8 105 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Cs Cs W W Cs W W W W Tc H W W Cs H W W H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.121</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.25 4.73 4.05 3.89 3.73 3.46 3.15 2.99 2.97 2.65 2.65 2.44 2.37 1.96 1.76 1.72 1.71 1.71 1.67 1.66 1.44 1.30 1.26 1.14 1.13 1.12 1.08 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 2 1 3 3 2 1 1 2 2 2 2 2 3 2 3 2 1 2 3 3 2 3 3 1 3 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S P:y D:x2-y2 S S P:z D:z2 D:xz S S P:x S S S P:x S S D:xy S S S P:y S S D:x2-y2 S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 -5.688 -0.436 -4.492 1.232 1.232 -0.436 -4.492 -4.492 -5.688 -5.688 -0.436 -5.688 -5.688 1.232 -0.436 1.232 -5.688 -4.492 -5.688 1.232 1.232 -0.436 0.215 1.232 -4.492 0.215 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 2.00 0.00 0.80 0.00 0.00 0.00 0.80 0.80 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">13 8 109 15 8 13 108 10 7 19 4 108 15 10 4 109 15 17 12 2 19 10 108 109 17 5 108 14 9 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Cs W W W Cs W W W W Cs W W W Cs W W W W W W Cs Cs W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.55 3.24 2.91 2.82 2.43 2.42 2.35 2.31 2.20 2.06 1.89 1.85 1.73 1.65 1.53 1.49 1.47 1.46 1.39 1.32 1.26 1.23 1.21 1.17 1.15 1.14 1.11 1.10 1.09 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 3 3 1 2 2 1 2 1 1 2 2 1 3 2 3 1 1 1 1 1 1 1 1 3 3 3 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:y S S D:z2 S S D:z2 S D:x2-y2 D:x2-y2 S S D:x2-y2 S S S D:yz D:x2-y2 D:xz D:xy P:z D:z2 D:yz P:x S S S P:x S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-0.436 -0.436 0.215 1.232 -4.492 -5.688 -5.688 -4.492 -5.688 -4.492 -4.492 -5.688 -5.688 0.031 1.232 -5.688 1.232 -4.492 -4.492 -4.492 -4.492 -9.089 0.031 -4.492 -9.089 1.232 1.232 1.232 -9.089 -5.688 -9.089 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 0.00 0.00 0.80 2.00 2.00 0.80 2.00 0.80 0.80 2.00 2.00 0.00 0.00 2.00 0.00 0.80 0.80 0.80 0.80 1.33 0.00 0.80 1.33 0.00 0.00 0.00 1.33 2.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">108 109 108 7 13 2 4 14 7 15 14 17 19 109 14 10 2 12 13 13 8 68 109 11 64 4 19 17 49 16 86 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Cs Cs Cs W W W W W W W W W W Cs W W W W W W W O Cs W O W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.176</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.88 7.36 5.14 3.52 3.12 3.01 2.86 2.67 2.62 2.59 2.57 2.40 2.38 2.24 2.19 2.07 2.06 1.86 1.85 1.84 1.72 1.65 1.59 1.56 1.48 1.19 1.15 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 3 2 1 3 2 2 2 2 2 1 1 3 3 1 1 1 3 1 2 2 1 2 2 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S D:xz S S S P:y S P:x D:xy D:z2 S S S D:x2-y2 S S D:yz P:z S S S P:x S S D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 0.031 1.232 -5.688 -5.688 -0.436 -5.688 -0.436 0.031 0.031 0.215 1.232 -5.054 -4.492 -5.054 1.232 -4.492 -0.436 -5.688 -6.493 -5.688 -0.436 1.232 -5.688 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 2.00 0.00 0.80 0.00 2.00 1.00 2.00 0.00 0.00 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 4 2 108 2 8 1 108 5 108 108 109 109 5 101 5 103 8 6 109 14 105 13 109 14 6 8 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W Cs W W W Cs W Cs Cs Cs Cs W Tc W Tc W W Cs W H W Cs W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.194</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">7.60 6.36 5.76 4.93 4.56 4.19 3.58 3.18 3.06 2.63 2.43 -2.39 2.37 2.33 2.32 2.26 1.98 1.97 1.94 1.77 1.75 1.73 1.71 1.67 1.67 -1.64 1.58 1.48 1.46 1.41 1.30 -1.30 1.16 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">2 2 3 3 2 3 3 3 2 3 2 2 2 2 2 2 3 2 2 2 3 1 2 3 1 2 3 3 2 1 2 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S S S S S S S S S S S S S S S S S S S D:yz P:x S S S D:xy S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 1.232 -5.688 1.232 1.232 1.232 -5.688 1.232 -5.688 0.790 -5.688 0.790 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 1.232 -6.493 -5.688 1.232 -4.492 2.224 1.232 0.215 -5.688 0.031 -5.688 -5.054 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 1.00 2.00 0.00 0.80 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">12 7 12 5 5 7 18 3 16 20 3 103 18 100 10 20 9 15 14 1 14 104 9 13 18 107 19 109 13 109 19 101 10 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W W W W Tc W Tc W W W W W W W H W W W P W Cs W Cs W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.96 6.81 6.28 5.32 4.23 3.42 3.07 2.63 2.63 2.58 2.54 1.91 1.88 1.59 1.53 1.52 1.51 1.49 1.32 1.23 1.16 1.16 1.16 1.11 1.10 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 3 2 3 2 2 2 2 3 2 3 3 1 1 1 3 2 1 1 2 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S P:z S S S S S S D:z2 D:xy D:xz S P:y D:z2 D:x2-y2 S D:xy S S D:xy D:x2-y2 D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 1.232 -5.688 -0.436 -5.688 -5.688 1.232 -5.688 1.232 1.232 0.031 0.031 0.031 0.215 -0.436 -4.492 -4.492 -5.688 -4.492 -5.054 1.232 -4.492 0.031 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 0.00 2.00 0.00 2.00 0.00 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 0.80 2.00 0.00 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 19 20 20 17 109 13 11 9 9 13 17 108 109 109 108 108 20 4 7 18 103 7 2 108 20 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W Cs W W W W W W Cs Cs Cs Cs Cs W W W W Tc W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.37 4.63 4.63 2.80 2.77 2.73 2.28 2.01 2.00 1.89 1.78 1.67 1.56 1.52 1.46 1.44 1.43 1.36 1.32 1.25 1.20 1.16 1.13 1.12 1.12 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 2 3 2 3 1 3 1 1 1 3 2 3 1 1 1 2 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S S D:x2-y2 D:x2-y2 S S S D:yz D:yz D:yz P:y S S D:x2-y2 D:z2 D:z2 D:yz D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.215 1.232 -5.688 1.232 -5.688 0.215 -6.493 1.232 -6.493 -4.492 -4.492 1.232 2.471 1.232 -4.492 -4.492 0.031 -0.436 -5.688 2.471 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 0.00 2.00 0.00 1.00 0.00 1.00 0.80 0.80 0.00 0.00 0.00 0.80 0.80 0.00 0.00 2.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">109 10 10 2 2 108 105 8 104 14 5 19 105 4 18 11 108 109 8 104 9 13 14 8 16 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs W W W W Cs H W H W W W H W W W Cs Cs 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">1.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">521</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.64 3.21 2.92 2.45 2.21 2.13 2.10 1.89 1.78 1.70 1.59 1.48 1.43 1.34 1.31 1.29 1.28 1.22 1.20 1.20 1.18 1.14 1.13 1.12 1.12 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 1 1 1 3 1 2 1 1 3 1 3 1 1 1 1 1 2 1 1 2 1 1 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S D:z2 D:x2-y2 D:xz S D:yz S D:yz D:x2-y2 S D:xy S D:yz D:x2-y2 P:y D:x2-y2 D:yz S P:z D:z2 S D:z2 D:x2-y2 S P:x S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -4.492 -4.492 -4.492 1.232 -4.492 -5.688 -4.492 -4.492 1.232 -4.492 1.232 -4.492 -4.492 -9.089 -4.492 -4.492 -5.688 -9.089 -4.492 -5.688 -4.492 -4.492 -5.688 -0.436 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 0.80 0.80 0.80 0.00 0.80 2.00 0.80 0.80 0.00 0.80 0.00 0.80 0.80 1.33 0.80 0.80 2.00 1.33 0.80 2.00 0.80 0.80 2.00 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">15 4 19 17 15 2 13 19 5 3 2 13 17 4 79 15 16 10 41 3 12 20 20 11 108 3 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 O W W W O W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">522</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">24.62 19.36 7.16 6.96 5.53 5.42 3.24 2.32 -2.04 1.67 1.33 1.33 -1.32 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">3 3 2 2 3 3 2 3 2 2 2 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 -5.688 1.232 1.232 -5.688 1.232 -2.078 -5.688 -5.688 -5.688 -2.078 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 1.00 2.00 2.00 2.00 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">108 109 15 17 15 17 2 2 109 20 12 10 108 20 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Cs Cs W W W W W W Cs W W W Cs 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">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.74 5.54 5.15 3.99 3.56 3.52 3.04 2.85 2.49 2.24 2.15 2.05 2.05 2.03 2.02 1.97 1.96 1.94 1.91 1.72 1.68 1.63 1.62 1.57 1.49 1.40 1.36 1.31 1.24 1.22 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 1 2 1 1 2 2 2 2 3 3 2 3 3 2 2 2 2 2 1 1 3 3 2 1 1 2 2 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y D:yz P:z D:xy D:yz S S S S S S S S S P:x S S S S D:yz D:xz S S S D:yz D:x2-y2 S S S D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-0.436 0.031 -0.436 0.031 0.031 -5.688 -5.688 -5.688 -5.688 1.232 1.232 -5.688 1.232 1.232 -0.436 -5.688 -5.688 -5.688 -5.688 -4.492 0.031 1.232 1.232 -5.688 -4.492 0.031 -5.688 -5.688 1.232 0.031 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.00 0.00 0.00 2.00 0.80 0.00 2.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">108 109 109 109 108 7 5 12 19 7 12 20 19 5 109 11 1 4 13 6 108 4 13 16 11 108 8 6 20 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Cs Cs Cs Cs Cs W W W W W W W W W Cs W W W W W Cs W W W W Cs W W W Cs Cs</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">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">14.10 13.31 8.56 3.46 2.37 2.34 2.31 2.23 1.90 1.70 1.50 1.24 1.09 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 2 1 1 1 2 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:yz D:yz D:xy D:xy S D:x2-y2 S D:xz S S S D:x2-y2 D:yz S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 0.790 0.031 -5.054 0.031 0.790 -5.054 -5.688 -4.492 -4.492 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">108 109 108 109 101 109 103 109 103 101 16 14 18 1 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Cs Cs Cs Cs Tc Cs Tc Cs Tc Tc W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.98 6.50 3.63 3.38 3.11 2.84 2.71 2.45 2.15 1.85 1.82 1.74 1.71 1.56 1.53 1.52 1.48 1.47 1.44 1.38 1.32 1.27 1.21 1.15 1.13 1.07 1.07 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 2 1 2 1 2 2 3 1 3 1 2 2 1 1 2 1 2 1 3 2 2 1 1 3 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:x2-y2 S P:y S P:z S S S D:z2 S D:z2 S S D:yz D:yz S D:xz S D:xz S P:y P:z P:y D:x2-y2 S S D:xy D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -5.688 -9.089 -5.688 -9.089 -5.688 -5.688 1.232 -4.492 1.232 -4.492 -5.688 -5.688 -4.492 -4.492 -5.688 -4.492 -5.688 -4.492 1.232 -0.504 -0.504 -9.089 -4.492 1.232 1.232 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 2.00 1.33 2.00 1.33 2.00 2.00 0.00 0.80 0.00 0.80 2.00 2.00 0.80 0.80 2.00 0.80 2.00 0.80 0.00 0.00 0.00 1.33 0.80 0.00 0.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">10 15 1 78 16 87 11 6 1 14 16 15 8 13 15 9 19 10 4 17 11 15 10 58 9 6 8 2 13 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W O W O W W W W W W W W W W W W W W W W W O W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.537</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">526</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.91 2.96 2.96 2.92 2.73 2.32 2.23 2.06 1.88 1.75 1.69 1.46 1.44 1.44 1.44 1.33 1.17 1.14 1.13 1.11 1.11 1.09 1.06 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 2 1 1 2 2 1 1 1 1 1 3 1 2 1 1 1 3 1 2 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz S D:x2-y2 D:x2-y2 S S D:yz D:xz D:x2-y2 D:x2-y2 D:x2-y2 S D:yz S D:xy D:z2 D:xz S D:yz S D:yz S D:xy D:xz S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.031 -5.688 0.031 -4.492 -5.688 -5.688 -4.492 -4.492 -4.492 0.031 -4.492 1.232 -4.492 -5.688 0.031 -4.492 -4.492 1.232 -4.492 -5.688 -4.492 -5.688 -4.492 -4.492 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 2.00 0.00 0.80 2.00 2.00 0.80 0.80 0.80 0.00 0.80 0.00 0.80 2.00 0.00 0.80 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 18 109 10 6 14 8 7 14 108 15 2 12 15 109 9 17 15 9 2 7 11 2 12 17 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs W Cs W W W W W W Cs W W W W Cs 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">1.542</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.60 5.29 4.05 2.45 2.44 2.37 2.26 2.05 1.90 1.83 1.77 1.77 1.70 1.65 1.63 1.52 1.43 1.30 1.27 1.27 1.16 1.15 1.14 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 2 2 2 1 2 1 2 2 2 1 3 3 2 1 1 2 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:z2 D:z2 S S S D:x2-y2 S D:x2-y2 S S S D:x2-y2 S S S D:yz D:z2 S D:z2 D:xy D:yz D:yz D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -5.688 -5.688 -5.688 -4.492 -5.688 -4.492 -5.688 -5.688 -5.688 -4.492 1.232 1.232 -5.688 -4.492 -4.492 -5.688 -4.492 -4.492 -4.492 0.031 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 0.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00 0.80 0.00 0.00 2.00 0.80 0.80 2.00 0.80 0.80 0.80 0.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 108 109 18 11 9 10 3 14 17 10 2 9 10 17 15 13 13 6 7 12 12 108 3 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs Cs Cs W W W W W W W W W W W W W W W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.57 3.12 2.88 2.85 2.80 2.72 2.67 2.44 2.35 2.09 1.80 1.73 1.70 1.65 1.57 1.45 1.32 1.26 1.22 1.18 1.17 1.15 1.14 1.09 1.03 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 3 2 2 1 3 3 2 1 1 3 1 2 3 3 1 1 1 1 1 3 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:xz S S S D:xy S S S D:x2-y2 D:z2 S D:z2 S S S P:y D:x2-y2 D:z2 P:y D:xy S D:z2 D:x2-y2 P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 1.232 -5.688 -5.688 -4.492 1.232 1.232 -5.688 -4.492 -4.492 1.232 0.031 -5.688 1.232 1.232 -5.485 -4.492 -4.492 -9.089 0.031 1.232 -4.492 -4.492 -9.089 -5.485 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.00 2.00 2.00 0.80 0.00 0.00 2.00 0.80 0.80 0.00 0.00 2.00 0.00 0.00 1.00 0.80 0.80 1.33 0.00 0.00 0.80 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">17 2 7 9 16 1 12 3 14 9 17 10 18 108 14 8 13 107 15 2 43 109 16 20 7 56 106 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W Cs W W W P W W O Cs W W W O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.614</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">14.12 7.67 5.42 4.76 3.99 3.82 2.87 2.53 2.33 2.24 1.75 1.66 1.31 1.26 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xy D:z2 D:xz P:x D:xy D:xz P:x D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz D:xz S D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -0.436 0.031 0.031 -0.436 0.031 -4.492 -4.492 0.031 -4.492 -4.492 -5.688 -4.492 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.80 0.80 2.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">108 109 109 109 109 108 108 109 4 3 108 18 18 1 19 109 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Cs Cs Cs Cs Cs Cs Cs Cs W W Cs W W W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.621</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">530</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.44 4.08 4.07 3.00 2.94 2.89 2.43 2.41 2.27 1.96 1.95 1.95 1.82 1.81 1.77 1.73 1.72 1.65 1.59 1.34 1.27 1.25 1.25 1.22 1.19 1.19 1.17 1.16 1.14 1.13 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 1 1 1 1 2 2 2 2 1 1 2 2 3 3 2 1 1 2 3 3 3 1 2 2 2 1 2 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S D:x2-y2 D:z2 D:xy D:xy S S S S D:z2 D:xz P:x S S S S D:yz D:xz S S S S D:x2-y2 S P:z S P:y S D:z2 D:xy D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-5.688 -4.492 0.031 0.031 -4.492 -5.688 -5.688 -5.688 -5.688 -4.492 -4.492 -0.436 -5.688 1.232 1.232 -5.688 -4.492 -4.492 -5.688 1.232 1.232 1.232 -4.492 -5.688 -0.436 -5.688 -9.089 -5.688 -4.492 0.031 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 0.80 0.00 0.00 0.80 2.00 2.00 2.00 2.00 0.80 0.80 0.00 2.00 0.00 0.00 2.00 0.80 0.80 2.00 0.00 0.00 0.00 0.80 2.00 0.00 2.00 1.33 2.00 0.80 0.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">15 5 108 108 12 9 2 8 17 20 7 109 20 15 8 11 12 17 3 3 19 9 7 12 108 5 47 7 12 109 10 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W Cs Cs W W W W W W W Cs W W W W W W W W W W W W Cs W O W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">7.26 3.19 2.78 2.39 2.37 2.36 2.33 2.07 1.81 1.79 1.74 1.74 1.72 1.68 1.59 1.56 1.54 1.49 1.46 1.41 1.41 1.39 1.37 1.22 1.21 1.20 1.11 1.08 1.07 1.07 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 2 1 1 1 2 1 2 1 2 1 2 1 1 1 3 1 2 1 1 1 1 1 1 3 1 1 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:x2-y2 S D:yz D:z2 D:xy S D:x2-y2 S D:z2 S D:yz P:z D:xy D:yz D:x2-y2 S D:xz S D:x2-y2 D:x2-y2 D:z2 D:yz D:z2 P:x S D:xz S D:yz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">0.031 -4.492 -5.688 -4.492 -4.492 0.031 -5.688 -4.492 -5.688 -4.492 -5.688 -4.492 -0.436 -4.492 -4.492 0.031 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 0.031 0.031 -9.089 1.232 -4.492 -5.054 -4.492 -4.492 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.80 2.00 0.80 0.80 0.00 2.00 0.80 2.00 0.80 2.00 0.80 0.00 0.80 0.80 0.00 0.00 0.80 2.00 0.80 0.80 0.80 0.00 0.00 1.33 0.00 0.80 2.00 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">109 20 14 2 20 109 6 10 18 5 10 17 109 2 7 108 10 5 11 4 15 17 108 108 44 18 2 101 12 12 14 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Cs W W W W Cs W W W W W W Cs W W Cs W W W W W W Cs Cs 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">1.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">14.24 12.22 10.47 9.78 5.75 5.50 4.95 4.54 4.54 4.32 -3.92 -3.51 3.21 2.62 -2.61 1.50 1.48 1.40 1.36 1.34 1.28 1.19 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 2 2 3 3 3 1 1 3 2 2 2 1 2 1 1 3 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S D:xz D:xy S S S S S P:x S D:z2 S S D:x2-y2 S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 0.031 0.031 1.232 -2.078 -2.078 0.790 -5.054 2.224 -14.028 -4.492 1.232 -14.028 -4.492 -6.493 0.790 0.031 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 2.00 0.00 2.00 0.80 0.00 2.00 0.80 1.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">3 18 14 9 18 3 14 109 108 9 109 108 103 103 106 107 4 17 106 19 105 101 108 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W Cs Cs W Cs Cs Tc Tc P P W W P W H Tc Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.691</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.29 4.86 3.59 3.51 2.90 2.45 2.42 2.28 2.04 1.96 1.95 1.85 1.84 1.68 1.67 1.60 1.60 1.28 1.22 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 3 3 3 1 1 2 2 2 1 1 3 1 3 3 3 2 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:z2 S S S P:y D:xz S S S P:z D:xz S D:xy S S S S P:y S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 0.215 0.215 1.232 -9.089 0.031 -5.688 -5.688 -5.688 -9.089 -4.492 1.232 -4.492 1.232 1.232 1.232 -5.688 -5.485 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.00 0.00 0.00 1.33 0.00 2.00 2.00 2.00 1.33 0.80 0.00 0.80 0.00 0.00 0.00 2.00 1.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">5 20 108 109 19 47 109 7 6 12 21 7 4 12 12 7 3 11 106 19 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W Cs Cs W O Cs W W W O W W W W W W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">534</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.79 6.04 3.84 3.78 3.51 3.49 2.94 2.51 2.35 2.13 2.01 1.99 1.83 1.68 1.63 1.63 1.62 1.61 1.52 1.41 1.33 1.29 1.25 1.22 1.19 1.16 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 1 1 1 2 2 3 3 2 1 1 2 1 2 2 1 3 3 1 2 3 2 2 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y D:xz D:z2 D:x2-y2 S P:x S S P:z D:yz D:yz P:x D:x2-y2 S S D:xy S S D:x2-y2 S S P:y S D:x2-y2 S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-0.436 0.031 0.031 0.031 -5.688 -0.436 0.215 0.215 -0.436 0.031 -4.492 -0.436 -4.492 -5.688 -5.688 0.031 1.232 1.232 0.031 -5.688 1.232 -0.436 -5.688 -4.492 -5.688 -4.492 0.790</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">108 108 109 109 1 108 109 108 109 108 2 109 20 9 6 109 1 6 108 3 11 109 10 5 11 17 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs Cs Cs Cs W Cs Cs Cs Cs Cs W Cs W W W Cs W W Cs W W Cs W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.54 8.73 6.82 6.79 4.86 4.30 2.88 2.63 2.49 2.31 2.18 2.16 2.15 1.96 1.66 1.65 1.47 1.43 1.39 1.30 1.27 1.25 -1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 2 1 2 2 2 3 2 1 2 2 2 2 2 2 1 3 2 2 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz D:xy P:z D:xy P:y P:y P:z S S D:xz S S S S S S D:x2-y2 S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -0.436 0.031 -0.436 -0.436 -0.436 0.215 -5.688 0.031 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 -4.492 1.232 -5.688 -5.688 0.215 -2.078 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.00 2.00 2.00 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">109 108 108 109 109 108 109 108 108 6 109 13 8 19 7 16 12 5 13 4 11 109 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs Cs Cs Cs Cs Cs Cs Cs Cs W Cs W W W W W W W W W W Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.756</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.89 11.00 9.03 7.64 7.31 5.80 4.36 4.23 3.01 2.30 2.27 1.87 1.76 1.32 1.30 1.21 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">2 2 2 2 3 3 3 2 3 2 2 1 1 2 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S D:yz D:yz S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 -5.688 1.232 -5.688 -5.688 -4.492 -4.492 -5.688 -4.492 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.80 0.80 2.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">5 20 7 12 5 20 7 16 12 1 11 16 1 6 19 19 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">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">1.885</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.27 5.56 3.25 3.18 2.92 2.81 2.34 2.29 2.26 2.08 2.03 1.94 1.94 1.60 1.59 1.56 1.50 1.40 1.40 1.39 1.33 1.26 1.24 1.23 1.13 1.07 1.07 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 1 1 1 3 1 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:yz D:yz D:yz S S P:y D:x2-y2 D:xy D:x2-y2 P:y D:xz P:y P:z P:y S P:z D:z2 P:z P:y D:yz D:yz D:yz D:yz P:x D:xz P:y S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 1.232 -4.492 -4.492 0.031 0.215 -5.054 -0.436 -4.492 0.031 -4.492 -9.089 -4.492 -5.485 -5.485 -9.089 0.215 -9.089 -4.492 -9.089 -9.089 0.031 -4.492 -4.492 -4.492 -5.485 -4.492 -9.089 -5.054 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.80 0.80 0.00 0.00 2.00 0.00 0.80 0.00 0.80 1.33 0.80 1.00 1.00 1.33 0.00 1.33 0.80 1.33 1.33 0.00 0.80 0.80 0.80 1.00 0.80 1.33 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">11 6 6 11 108 109 103 109 14 109 11 88 8 107 107 66 108 77 9 97 61 109 9 13 8 107 12 77 102 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W Cs Cs Tc Cs W Cs W O W P P O Cs O W O O Cs W W W P W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.897</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">538</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.29 4.93 4.66 4.03 3.94 3.47 3.19 2.63 2.17 1.90 1.88 1.85 1.82 1.79 1.76 1.65 1.55 1.50 1.45 1.35 1.26 1.18 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 3 3 1 1 1 1 1 1 1 1 1 3 1 2 1 1 1 1 1 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S D:yz D:yz S D:z2 D:x2-y2 P:z P:y D:yz P:y S D:xz S P:z D:yz D:xz D:yz P:y S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.054 -6.493 1.232 1.232 -4.492 -4.492 -5.054 -4.492 -4.492 -9.089 -9.089 -4.492 -5.485 0.215 -4.492 2.471 -5.485 -4.492 0.031 0.031 -9.089 1.232 -6.493 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 1.00 0.00 0.00 0.80 0.80 2.00 0.80 0.80 1.33 1.33 0.80 1.00 0.00 0.80 0.00 1.00 0.80 0.00 0.00 1.33 0.00 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">101 105 16 1 16 1 100 19 4 51 32 18 106 108 18 105 106 3 109 109 46 5 104 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc H W W W W Tc W W O O W P Cs W H P W Cs Cs O W H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.957</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">539</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.79 4.19 4.00 3.28 3.16 2.65 2.55 2.44 2.44 2.43 2.43 2.08 1.91 1.83 1.73 -1.62 1.60 1.52 1.47 1.47 1.46 1.33 -1.28 1.22 1.16 1.09 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 1 3 3 1 1 2 3 1 2 3 1 1 2 3 1 1 1 1 2 1 3 1 3 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S P:x S S D:yz D:x2-y2 S S D:x2-y2 S S D:x2-y2 S S S P:x D:x2-y2 D:z2 D:x2-y2 S D:yz S S S D:xz D:xy D:yz S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">0.790 -5.485 0.215 1.232 0.031 -4.492 -5.688 1.232 -4.492 -5.688 1.232 -4.492 -6.493 -5.688 1.232 -0.773 -4.492 0.031 -4.492 -5.688 0.031 1.232 -5.054 1.232 -4.492 0.031 -4.492 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 1.00 0.00 0.00 0.00 0.80 2.00 0.00 0.80 2.00 0.00 0.80 1.00 2.00 0.00 0.00 0.80 0.00 0.80 2.00 0.00 0.00 2.00 0.00 0.80 0.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">102 107 109 9 108 15 20 15 11 3 14 10 104 9 10 103 9 109 6 14 109 3 101 12 15 109 17 5 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc P Cs W Cs W W W W W W W H W W Tc W Cs W W Cs W Tc W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.998</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">540</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">10.61 6.33 3.98 3.84 3.66 3.65 3.32 3.02 2.54 2.13 2.02 1.96 1.79 1.78 1.74 1.70 1.51 -1.43 1.43 1.40 1.38 1.33 1.31 1.30 1.29 1.23 1.17 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 3 1 1 1 2 3 2 2 1 1 1 1 1 1 3 1 3 1 2 1 1 1 2 1 1 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S D:x2-y2 D:xy P:z S S P:z S D:x2-y2 S P:x S D:yz S D:z2 S D:x2-y2 S D:x2-y2 D:x2-y2 D:x2-y2 S S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 1.232 -6.493 0.031 0.031 -0.436 0.215 0.790 -0.436 -5.054 0.031 -6.493 -5.485 -5.054 0.031 1.232 0.031 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 -5.688 -5.054 -4.492 -2.078 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 1.00 2.00 0.00 0.00 0.00 0.00 0.80 2.00 0.80 0.80 0.80 2.00 2.00 0.80 1.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">18 18 105 108 108 108 108 100 109 103 109 104 106 102 109 12 109 3 5 12 3 20 9 3 100 1 108 17 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W H Cs Cs Cs Cs Tc Cs Tc Cs H P Tc Cs W Cs W W W W W W W Tc W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.033</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">541</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.56 7.81 7.39 5.19 3.49 2.47 2.32 2.26 2.17 2.03 2.02 1.90 1.78 1.75 1.71 1.70 1.65 1.61 1.55 -1.51 1.49 1.47 1.43 1.33 1.29 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 2 2 2 1 3 2 3 1 2 2 1 1 1 1 2 1 1 2 3 2 3 2 3 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz S S S D:x2-y2 S P:y S D:xy S S D:z2 D:z2 D:xy D:xy S S D:z2 P:x S P:x S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">0.031 -5.688 -5.688 -5.688 0.031 1.232 -0.436 0.215 0.031 -5.688 -5.688 0.031 0.031 0.031 -4.492 0.790 -6.493 -4.492 -0.436 1.232 -0.436 0.215 -5.688 1.232 1.232 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 2.00 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 0.00 1.00 0.80 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">108 9 14 3 109 9 109 109 108 18 1 108 109 109 18 100 105 14 109 14 108 108 17 3 2 1 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs W W W Cs W Cs Cs Cs W W Cs Cs Cs W Tc H W Cs W Cs Cs W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.067</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.33 7.91 6.05 4.58 -4.42 3.70 3.63 3.59 3.54 3.06 2.83 2.65 2.57 2.37 -2.25 1.95 1.79 1.72 1.67 1.64 1.50 1.47 1.40 1.35 1.27 1.25 1.23 -1.22 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 2 2 2 3 2 1 2 2 2 3 3 3 2 1 1 1 1 1 3 2 1 3 1 1 3 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 S D:x2-y2 S S S S D:x2-y2 S D:z2 P:x S P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">0.215 -5.688 0.790 -5.688 -2.078 1.232 -5.688 -5.054 -5.688 -5.688 0.790 1.232 1.232 1.232 -2.078 -6.493 -5.054 -4.492 -5.054 -6.493 1.232 -5.688 -4.492 1.232 0.031 -5.485 1.232 -0.436 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 0.00 2.00 1.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 2.00 0.80 2.00 1.00 0.00 2.00 0.80 0.00 0.00 1.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 14 100 18 109 1 12 103 3 9 101 18 9 12 108 104 102 20 101 105 5 5 4 3 109 106 14 109 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs W Tc W Cs W W Tc W W Tc W W W Cs H Tc W Tc H W W W W Cs P W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.35 5.76 5.09 4.38 4.22 3.90 3.21 2.80 2.59 2.29 2.26 2.04 1.82 1.59 1.55 1.51 1.40 1.31 1.29 1.24 1.17 1.07 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 2 3 1 1 2 1 3 1 2 3 1 3 2 2 3 2 3 2 3 1 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 S S D:xy D:xz S D:yz S D:x2-y2 P:x S D:x2-y2 S S S S S S S S D:xy D:xz S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 -5.688 1.232 0.031 0.031 -5.688 0.031 1.232 0.031 -0.436 1.232 0.031 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 1.232 0.031 4.055 -5.688 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 3 3 108 109 18 108 20 109 109 17 108 14 16 14 7 9 4 20 13 109 4 19 17 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs W W Cs Cs W Cs W Cs Cs W Cs W W W W W W W W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.115</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">544</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">11.07 -7.52 7.05 5.97 5.75 4.54 4.13 3.94 3.66 3.42 2.86 2.78 2.39 2.24 2.13 1.94 -1.83 -1.76 1.72 1.71 1.49 1.47 1.44 1.31 1.21 1.17 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 2 2 3 1 2 3 2 2 2 3 2 1 3 2 1 2 2 3 2 2 2 3 2 2 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S S P:y S S D:z2 S S S P:z S S S S S S S S D:x2-y2 S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">0.215 -2.078 -5.688 1.232 -5.054 -5.688 1.232 -5.688 -5.688 -0.436 1.232 -5.688 0.031 1.232 0.790 -5.054 -0.436 -2.078 1.232 0.790 0.790 -5.688 1.232 -5.688 -5.688 0.031 1.232 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 1.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">109 108 14 14 103 9 7 7 3 109 3 18 108 16 100 101 108 109 20 101 103 20 10 6 16 108 6 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs Cs W W Tc W W W W Cs W W Cs W Tc Tc Cs Cs W Tc Tc W W W W Cs W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">19.80 14.32 9.52 8.44 7.42 7.26 4.76 4.22 3.71 3.60 3.27 2.62 2.30 2.08 1.42 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 2 1 2 1 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S D:z2 D:x2-y2 S D:xy D:yz S D:x2-y2 S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-5.054 -5.054 -14.028 0.031 0.031 -14.028 0.031 0.031 0.790 0.031 3.429 -5.054 3.429 -5.688 0.790 -6.493</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">103 101 107 108 109 106 109 109 101 108 107 100 106 3 100 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc P Cs Cs P Cs Cs Tc Cs P Tc P W Tc H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">104</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.99 9.78 8.48 7.92 7.52 6.38 5.73 5.70 5.18 4.32 3.59 3.18 2.31 1.64 1.16 1.10 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">83 25 29 42 35 27 50 33 95 36 28 22 31 52 24 39 100 75</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 Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">105</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">11.83 11.41 11.03 10.52 7.95 7.91 5.23 5.18 2.89 2.75 2.31 2.10 1.78 1.67 1.38 1.32 1.30 1.18 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S D:x2-y2 S D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">61 92 99 67 91 96 66 97 57 89 74 82 90 59 81 6 68 11 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.730</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">106</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">11.33 9.25 9.15 7.13 6.95 6.58 6.50 5.69 5.16 4.22 4.09 3.65 2.48 2.18 1.19 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">51 55 32 95 42 31 26 24 52 75 35 83 44 34 50 40 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.727</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">107</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">8.75 6.63 6.20 5.89 5.82 5.45 5.02 4.94 4.84 4.46 3.98 3.92 3.71 3.62 2.67 2.58 2.48 2.27 1.78 1.59 1.40</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">32 52 40 24 44 38 94 51 35 34 55 25 31 83 95 75 101 29 42 36 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">108</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.26 10.82 10.66 9.71 7.95 6.99 5.67 4.83 3.39 3.20 2.43 2.26 1.87 1.84 1.73 1.57 1.25 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">22 28 33 50 31 52 51 32 24 55 40 44 75 26 94 34 16 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.627</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">109</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="4">77.42 1.18 1.14 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">38 57 74 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.613</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.69 10.41 10.18 9.83 9.81 8.63 5.14 4.40 2.52 2.12 2.08 1.89 1.67 1.33 1.22 1.18 1.12 1.09 1.05 1.03 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">S S S S S S S S S S S S S S S D:x2-y2 S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">49 63 90 89 59 57 56 69 82 81 74 68 99 67 77 14 92 88 66 65 86 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.521</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">111</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">10.85 10.40 9.21 9.01 8.96 8.74 4.82 4.01 3.57 3.31 2.38 2.30 1.44 1.38 1.29 1.28 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">26 75 83 55 24 42 35 95 34 94 44 40 46 85 50 33 4</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">-22.517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">112</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">15.61 14.73 7.28 6.56 5.64 5.51 4.49 4.38 4.17 4.14 2.47 2.12 2.09 2.09 1.87 1.81 1.77 1.38 1.35 1.27 1.20 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S D:x2-y2 S S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">63 49 58 70 57 89 66 74 97 82 67 38 62 99 91 14 96 90 10 69 56 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">113</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">14.13 14.03 10.08 9.51 5.24 4.50 4.47 4.44 3.21 3.19 3.18 3.07 2.81 2.60 2.30 1.46 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">69 56 68 81 62 74 82 60 90 59 96 92 38 91 61 103 8</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 Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.425</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">114</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">15.63 14.96 8.09 5.87 5.47 5.42 5.38 5.27 5.17 4.97 2.73 2.29 1.76 1.59 1.51 1.44 1.29 1.09 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S D:x2-y2 D:x2-y2 S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">83 42 25 36 44 51 24 55 40 32 50 33 4 20 38 52 94 31 34 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.408</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">115</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.43 9.25 9.21 8.78 6.43 6.33 6.21 6.00 3.68 3.41 3.36 3.29 2.97 2.89 2.02 2.01 1.94 1.90 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">61 91 92 96 67 97 99 66 86 81 68 93 64 65 49 63 78 87 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">116</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">13.25 11.99 11.30 11.25 7.60 4.24 3.99 3.93 3.88 3.29 2.97 2.91 2.79 2.24 2.20 1.20 1.13 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S D:yz S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -5.054 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">35 95 94 34 29 75 26 31 27 52 40 28 44 38 22 18 101 55 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O W Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.368</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">12.73 11.74 8.82 8.24 8.14 7.96 5.04 4.97 3.64 3.40 2.39 2.22 1.95 1.93 1.93 1.62 1.61 1.45 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">69 56 63 49 97 66 99 67 91 96 78 87 92 61 74 81 82 68 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.355</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">118</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">23.66 23.40 9.85 8.60 6.42 5.39 2.55 2.12 2.10 2.07 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">88 77 58 70 62 60 86 81 65 68 74 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">119</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.29 9.25 9.20 9.12 6.76 6.03 5.99 5.18 4.70 4.67 3.91 3.70 3.62 3.32 2.27 2.14 1.16 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">22 31 52 28 30 53 42 83 50 33 34 94 51 32 79 41 43 84 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.301</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">120</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">46.02 37.80 2.37 1.56 1.40 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S D:yz D:yz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">77 88 6 11 86 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.299</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">121</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">12.19 8.31 6.53 6.07 5.27 5.25 4.80 4.65 3.73 3.44 2.95 2.70 2.20 2.08 2.07 1.96 1.84 1.78 1.72 1.59 1.48 1.47 1.21 1.10 1.06 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">S S S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">86 88 68 74 65 67 60 61 78 70 69 81 56 82 87 64 54 57 93 99 97 59 96 49 92 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.293</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">122</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.70 11.13 10.29 9.38 7.57 7.08 6.17 5.92 3.96 3.04 3.03 2.66 2.13 1.66 1.51 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">95 35 32 51 42 83 50 33 44 21 47 40 84 43 34 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.286</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">123</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.04 9.98 8.27 8.17 7.67 6.43 5.44 4.12 3.94 3.61 2.96 2.83 2.53 2.43 2.23 2.17 1.61 1.40 1.38 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">S S S S S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">92 82 81 65 99 61 74 68 86 67 91 23 87 56 66 96 90 89 54 10</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.280</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">124</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">31.58 29.50 5.90 5.65 4.83 4.55 1.48 1.21 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S S S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">46 85 27 25 36 29 40 1 94 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.254</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">125</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">15.40 13.95 10.66 9.22 5.11 4.34 3.09 3.05 3.03 3.03 2.91 2.86 1.98 1.91 1.73 1.42 1.33 1.19 1.09 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">88 77 86 60 62 58 54 74 65 23 92 61 49 82 70 66 93 64 63 91 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">126</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">43.35 42.90 2.04 2.04 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:yz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">85 46 16 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">127</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">47.07 11.54 6.00 3.95 2.94 2.72 2.42 2.05 1.82 1.70 1.51 1.46 1.24 1.18 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S D:z2 S S S S S S S S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">86 65 67 97 14 70 77 66 49 68 58 82 74 69 14 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O W O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">128</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.36 7.81 7.68 5.43 4.87 4.75 4.67 4.02 3.80 3.42 3.40 3.22 2.83 2.76 2.57 2.28 2.13 2.00 1.95 1.71 1.51 1.45 1.37 1.23 1.19 1.08 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">S S S S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">30 44 53 40 94 27 84 22 95 50 43 36 35 79 34 65 28 33 21 41 83 47 42 55 24 75 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">129</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">50.84 7.16 5.62 3.91 3.23 2.91 2.69 2.60 1.55 1.52 1.49 1.39 1.34 1.26 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S D:yz S D:x2-y2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">65 70 86 99 78 87 58 9 88 9 63 62 81 56 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O W O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">130</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.54 9.23 8.57 8.49 6.85 6.39 6.15 5.89 4.81 3.15 3.13 3.04 2.75 2.73 1.69 1.53 1.53 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">28 22 33 40 50 34 94 44 43 52 84 51 31 32 41 24 79 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.182</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">131</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">43.58 14.30 3.35 2.84 2.83 2.79 2.67 2.50 2.40 2.24 2.14 1.95 1.84 1.77 1.68 1.44</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S D:x2-y2 S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">78 87 49 63 64 99 68 61 92 15 93 67 81 96 66 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">132</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">12.13 11.75 9.64 8.39 6.31 5.71 5.56 4.17 3.80 3.00 2.32 2.05 1.86 1.73 1.68 1.62 1.44 1.38 1.33 1.31 1.26 1.24 1.10 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S S S S S S S S S S S S S S S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">85 46 36 25 27 29 79 43 41 84 33 21 50 51 34 30 47 35 28 22 94 32 16 95 1</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 W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">133</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">30.05 24.40 16.60 4.14 3.46 2.83 1.97 1.55 1.46 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S S D:z2 D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">87 78 93 58 70 54 10 15 74 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">134</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">35.06 18.82 11.53 7.76 3.82 2.03 1.96 1.81 1.75 1.32 1.20 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S D:xz D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">23 87 54 93 64 96 92 61 7 10 82 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">135</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">31.99 19.40 14.57 3.21 1.74 1.65 1.50 1.33 1.25 1.20 1.14 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S D:x2-y2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">30 93 54 43 62 3 34 69 87 31 22 70 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.144</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">136</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">32.14 19.81 14.96 3.14 2.03 1.66 1.49 1.15 1.15 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S D:x2-y2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">30 93 54 43 87 3 34 31 69 22 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-22.139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">137</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">39.83 25.17 6.63 4.27 3.81 1.95 1.56 1.55</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S S D:x2-y2 S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">64 23 56 87 82 13 62 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.135</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">138</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">64.95 4.22 3.24 2.35 2.25 2.09 1.70 1.57 1.19 1.19 1.11 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S D:xy S S S S S S S S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">53 84 18 94 52 28 22 43 50 21 95 18 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.129</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">139</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">16.13 15.90 10.90 9.45 7.59 4.59 4.08 3.73 2.14 2.06 1.87 1.83 1.78 1.76 1.53 1.09 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">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">62 54 60 23 58 61 92 70 63 56 99 67 81 69 49 68 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.122</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">140</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">23.55 16.69 8.04 6.54 5.99 3.85 3.68 3.62 3.16 2.84 2.80 2.44 1.91 1.20 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">64 54 93 69 23 68 81 78 74 87 63 56 49 82 12 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">141</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">41.78 27.27 2.99 2.81 2.14 2.04 1.93 1.87 1.62 1.41 1.41 1.26 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S D:xy S S S D:xz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">43 84 28 34 2 52 94 31 17 22 35 42 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O W O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.097</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">142</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">36.67 13.01 11.83 5.76 4.42 2.59 2.21 2.03 1.96 1.91 1.58 1.17 1.12 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S D:yz S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">79 84 43 27 29 22 36 53 41 50 19 25 19 40 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-22.096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">143</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">23.55 22.99 15.76 7.18 3.07 2.84 2.10 1.97 1.80 1.55 1.46 1.29 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S D:xz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">84 79 21 43 41 95 27 51 50 17 29 44 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.085</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">144</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">34.09 18.81 7.95 5.14 4.08 2.25 1.69 1.55 1.41 1.28 1.11 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">S S S S S D:z2 S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">21 47 79 83 94 20 42 53 33 41 44 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">145</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.35 8.36 8.30 6.71 6.53 6.49 6.10 5.41 5.02 4.96 2.99 2.86 2.77 2.19 2.06 2.01 1.98 1.94 1.19 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">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 56 69 63 49 68 81 93 74 82 87 21 54 90 78 59 23 47 89 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.080</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">146</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">60.19 8.62 6.47 3.37 2.65 1.86 1.82 1.65 1.42 1.34 1.26 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S D:z2 S S S S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">41 47 21 4 79 35 32 33 27 4 42 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O W O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.056</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">147</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">42.66 14.79 7.23 2.93 2.89 2.89 2.64 2.61 2.56 1.73 1.73 1.59 1.57 1.41 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S D:x2-y2 S S S S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">47 21 41 5 42 40 95 44 34 36 84 25 35 79 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.040</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">148</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">16.27 14.57 11.24 8.93 4.33 3.76 3.69 3.65 3.30 2.86 2.80 2.67 2.64 2.12 1.56 1.53 1.44 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">25 36 29 27 35 33 50 95 83 41 42 28 22 40 44 79 94 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.022</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">149</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">17.07 12.61 11.72 8.94 8.80 8.68 8.66 3.84 3.80 3.18 3.16 2.83</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">70 60 58 97 99 66 67 91 96 61 92 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">150</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">11.98 10.44 9.53 8.55 8.49 7.64 6.94 6.20 5.43 4.41 1.78 1.59 1.35 1.18 1.14 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">95 35 44 42 40 47 83 34 94 21 41 84 5 43 24 79 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.976</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">151</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.84 11.34 8.65 8.65 8.53 8.46 5.85 4.75 4.09 4.01 3.67 3.61 1.44 1.37 1.37 1.36</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">60 62 91 61 92 96 70 58 97 66 99 67 57 90 59 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.937</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">152</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">16.92 15.02 11.69 11.00 9.40 9.03 3.33 3.24 2.78 2.45 1.57 1.51 1.24 1.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">57 89 90 59 74 82 69 60 70 56 81 68 63 49 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-21.932</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">153</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">19.59 11.47 7.89 7.12 7.02 6.91 6.75 6.57 5.39 5.27 4.81 4.77</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">27 36 25 22 29 28 52 31 33 50 32 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.891</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">154</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">12.14 8.99 8.92 7.62 6.72 6.62 6.36 6.27 5.85 5.66 5.50 5.35 2.10 1.92 1.26 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">36 25 27 29 32 51 33 50 22 28 52 31 55 24 26 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">155</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.56 15.33 10.64 9.17 9.14 8.06 4.94 4.85 3.13 2.08 1.69 1.54 1.27 1.24 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">55 24 26 44 75 40 95 36 35 27 101 34 94 50 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-21.794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">156</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.55 16.33 12.20 11.89 9.07 6.83 5.52 5.20 4.02 2.94 1.95 1.54</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">89 57 82 74 59 90 69 56 68 81 49 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.730</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">157</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">15.91 15.87 13.05 12.69 8.72 7.03 6.22 4.69 3.36 3.19 2.16 1.62</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">59 90 81 68 82 74 89 57 49 63 56 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">158</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">18.59 15.99 12.98 11.19 8.87 6.09 5.83 5.82 3.75 2.60 1.37 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">24 55 40 44 75 26 35 95 94 34 83 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.670</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">159</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.69 15.39 15.09 14.31 7.50 7.06 4.69 4.56 4.07 3.93 1.85 1.80</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">81 90 68 59 74 82 57 89 63 49 69 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">160</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">20.75 16.14 13.56 10.32 6.38 6.13 4.97 4.95 4.19 2.90 2.20 1.89</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">26 75 34 94 44 40 55 24 42 83 95 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-21.589</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">161</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">18.86 15.65 15.18 12.90 6.58 5.20 5.05 4.94 4.37 3.91 2.34 2.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">75 94 26 34 40 44 24 83 42 55 35 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">162</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">12.14 11.94 10.35 9.40 8.23 8.10 4.87 4.86 4.79 4.69 4.35 2.74 1.73 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:y P:x S P:z S P:z S S S S P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">80 73 107 76 107 71 76 80 73 71 71 76 71 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O P O 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">-14.205</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">163</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">13.30 11.85 10.45 9.31 8.20 6.98 4.88 4.87 4.77 4.70 4.30 2.98 1.36</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y S P:z S P:z S S S S P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">39 48 106 45 106 37 45 48 37 39 37 45 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O P O P O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.384</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">164</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">28.41 23.65 20.39 13.11 11.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">109 108 109 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.360</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">165</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">34.30 26.93 11.81 6.21 5.84 5.60</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:z P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">109 109 108 108 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.346</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">166</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">30.45 25.77 14.65 12.00 8.69 5.82</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:z P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 108 109 109 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">167</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">36.44 23.31 16.94 10.55 7.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 108 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.322</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">168</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="3">37.84 37.32 18.52</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="3">1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="3">P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="3"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="3">2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="3">109 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="3">Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.308</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">169</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="6">45.61 28.23 9.79 6.36 4.42 1.96</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:x P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 108 109 108 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.049</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">170</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">19.14 11.73 10.47 4.35 4.12 4.08 3.20 2.80 2.50 2.33 2.21 2.03 1.91 1.59 1.44 1.25 1.17 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:x P:x P:z P:z P:z P:y S P:x P:y P:x P:x P:y P:x P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -5.485 -9.089 2.224 -9.089 -24.020 -9.089 -9.089 -9.089 -5.485 -5.485 2.224 2.224 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.00 1.33 0.00 1.33 2.00 1.33 1.33 1.33 1.00 1.00 0.00 0.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">71 71 73 76 107 80 107 76 71 71 73 80 107 107 107 107 102 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O P O P O O O O O P P P P Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.007</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">171</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">20.27 18.21 6.77 4.36 3.05 3.01 3.00 2.93 2.45 2.30 2.08 2.01 1.94 1.80 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:y P:y P:x P:z P:y P:y P:z P:z P:z S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 2.224 -9.089 -5.485 -9.089 -9.089 -9.089 2.224 -9.089 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 0.00 1.33 1.00 1.33 1.33 1.33 0.00 1.33 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">80 76 76 107 107 80 107 73 71 71 107 73 76 80 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P P O P O O O P O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">172</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">17.48 9.42 6.35 4.97 4.24 3.80 2.85 2.65 2.38 2.21 2.15 2.13 2.09 1.58 1.35 1.34 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:x P:z P:y P:y P:x P:x P:z P:x P:x P:x P:z P:y P:x S P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -5.485 2.224 -9.089 -9.089 -5.485 -9.089 -9.089 -9.089 2.224 -24.020 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.00 0.00 1.33 1.33 1.00 1.33 1.33 1.33 0.00 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">39 73 37 37 80 106 106 76 71 107 48 45 76 107 39 45 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O P P O O P O O O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.958</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">173</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">13.75 13.30 6.40 4.04 3.71 3.24 3.08 3.00 2.74 2.43 2.26 2.22 2.01 1.65 1.53 1.47 1.27 1.10 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">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="19">P:x P:x P:y P:z P:x P:y P:x P:x P:z P:x P:x P:z P:y P:z P:y P:x S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -5.485 -9.089 2.224 2.224 -9.089 -9.089 -9.089 -9.089 -9.089 -24.020 -24.020 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 0.00 0.00 1.33 1.33 1.33 1.33 1.33 2.00 2.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 73 80 76 71 76 107 106 45 106 107 37 37 80 48 48 73 39 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O P P O P P 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">-11.917</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">174</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">20.88 17.11 8.02 3.79 3.77 3.24 2.65 2.62 2.36 2.36 2.32 1.97 1.80 1.38 1.23 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">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="16">P:y P:z P:x P:z P:y P:y P:z P:y P:y P:z P:x S S P:z D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -5.485 -9.089 2.224 2.224 -9.089 -9.089 -9.089 -24.020 -24.020 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.00 1.33 0.00 0.00 1.33 1.33 1.33 2.00 2.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">48 45 45 106 106 37 106 106 39 39 48 45 48 37 3 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O P P O P P O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.880</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">175</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.49 7.75 7.74 7.34 6.54 5.06 3.98 3.42 3.23 3.10 2.83 2.35 2.28 1.95 1.87 1.44</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:y P:y P:z P:x P:y P:y P:z P:z P:z P:y P:x P:z S P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -5.485 -9.089 2.224 -9.089 2.224 -24.020 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 0.00 1.33 0.00 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">37 45 48 48 37 37 106 45 106 39 106 39 106 37 39 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O P O P O P O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">176</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.19 5.16 4.83 3.91 3.90 3.56 3.44 3.44 2.95 2.87 2.81 2.81 2.72 2.68 2.48 2.43 2.08 2.06 1.82 1.61 1.51 1.37 1.37 1.29 1.27 1.22 1.22 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:x P:z P:y P:y P:y P:x P:y D:x2-y2 P:z D:x2-y2 D:z2 P:z P:y P:y D:xz P:z P:y D:xy D:x2-y2 P:y P:z D:yz P:z D:x2-y2 D:xy D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 0.80 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">91 92 96 67 62 99 96 61 60 11 97 6 11 62 61 66 12 60 58 6 13 70 91 6 58 10 7 8 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O W O W W O O O W 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">-11.658</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">177</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.55 7.96 6.60 5.90 3.84 3.64 3.26 3.01 2.68 2.57 2.52 2.21 2.10 2.05 1.89 1.79 1.78 1.77 1.62 1.53 1.37 1.25 1.23 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:z P:y P:z P:y P:y P:y P:x P:x P:z P:y P:z D:x2-y2 P:x P:x D:yz P:y P:z D:z2 P:y D:yz P:y D:x2-y2 D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 99 97 66 58 70 91 92 58 62 70 10 96 61 6 96 62 15 61 11 60 14 15 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W O O W O O W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">178</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.19 7.14 6.10 5.43 4.70 4.59 4.34 3.61 3.60 3.47 2.86 2.65 2.57 2.01 1.99 1.93 1.73 1.52 1.43 1.42 1.42 1.18 1.16 1.16 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:y P:y P:x P:z P:y P:y D:x2-y2 P:z D:xz D:x2-y2 D:x2-y2 P:z D:z2 D:xy P:z D:yz D:xy D:yz P:z D:x2-y2 D:xz P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">31 22 52 29 52 28 29 28 27 1 27 2 16 3 31 1 16 22 18 17 3 33 17 18 50 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O W W W O W W O W W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">179</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.84 11.28 8.15 7.46 5.12 4.08 3.71 3.26 2.97 2.70 2.59 2.15 1.69 1.42 1.21 1.19 1.10 1.07 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:z P:y P:y P:z P:y D:x2-y2 P:z D:z2 D:yz D:yz D:xz D:x2-y2 D:yz P:z P:x D:xz D:yz D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">33 50 51 32 25 25 36 20 36 5 16 1 5 4 4 50 22 19 19 20 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O W W W W W W O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">180</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.32 6.81 5.16 4.37 4.07 3.94 3.71 3.31 3.20 2.20 2.06 2.06 1.88 1.70 1.61 1.58 1.57 1.56 1.54 1.53 1.50 1.49 1.45 1.41 1.35 1.29 1.29 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">P:x P:z P:x P:x P:z P:x P:z P:x P:y D:x2-y2 P:y P:z S D:xz P:x D:xz P:x P:x D:xz D:xz D:x2-y2 D:yz P:z D:xy P:y D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -5.054 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 2.00 0.80 1.33 1.00 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="28">89 56 49 57 68 82 89 59 69 10 81 57 103 12 90 103 74 63 7 10 14 7 59 7 63 15 74 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O W O O Tc W O Tc 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">-11.242</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">181</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.56 5.06 4.76 3.62 3.47 3.34 3.30 3.26 3.20 3.00 2.96 2.54 2.40 2.31 2.28 2.27 2.21 2.15 1.83 1.62 1.58 1.50 1.41 1.34 1.34 1.32 1.29 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:y P:x P:x P:z P:x P:x P:z P:x P:z P:y D:z2 D:x2-y2 P:x P:y P:x D:x2-y2 P:z D:x2-y2 P:z D:yz D:xy D:xz D:z2 D:x2-y2 D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -4.492 -6.681 -6.681 -6.681 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 1.33 1.33 1.33 1.00 1.33 1.00 1.33 0.80 1.00 1.00 1.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">57 69 81 90 63 56 89 49 57 74 68 74 102 15 59 63 82 102 90 103 89 8 103 103 103 9 12 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O Tc W O O O Tc O Tc O W Tc Tc Tc W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">182</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.54 7.25 5.58 5.45 5.34 4.09 3.97 2.95 2.87 1.98 1.95 1.78 1.78 1.74 1.70 1.68 1.64 1.56 1.32 1.28 1.25 1.21 1.21 1.14 1.11 1.09 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:x P:x P:z P:z P:x D:x2-y2 P:x P:y D:xz D:xz D:xz D:xy P:z D:x2-y2 P:z D:yz D:xz P:z S S P:z P:y P:y D:z2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -5.054 -5.054 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.00 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 2.00 2.00 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">55 95 42 44 34 55 26 20 24 35 17 100 20 17 26 4 42 17 2 44 100 101 24 55 94 4 3 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W O O W Tc W W O W O W W O Tc Tc O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.157</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">183</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.23 7.07 5.04 4.55 4.54 3.88 3.59 3.12 2.60 2.54 2.16 2.02 2.01 1.95 1.95 1.83 1.83 1.82 1.81 1.77 1.72 1.70 1.55 1.46 1.38 1.14 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:y P:y P:x P:x P:y P:z P:x P:y D:x2-y2 D:x2-y2 P:z D:z2 P:x P:x D:x2-y2 D:x2-y2 D:xz P:z P:z D:xy D:z2 D:yz P:x P:x D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -9.089 -9.089 -6.681 -6.681 -4.492 -9.089 -9.089 -4.492 -6.681</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 0.80 1.00 1.33 1.00 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.00 1.00 0.80 1.33 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">24 35 94 75 83 83 24 40 40 5 100 75 101 42 55 101 19 2 95 34 100 100 18 44 26 2 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O W Tc O Tc O O Tc W W O O Tc Tc W O O W Tc</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">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.91 6.82 5.99 5.92 5.04 4.80 4.36 4.30 4.22 3.87 3.50 3.45 2.31 2.15 2.15 1.86 1.38 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:z P:y P:x P:x P:z P:y P:y D:z2 D:x2-y2 D:x2-y2 P:x D:yz P:y D:xy P:z D:x2-y2 D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">91 67 99 96 92 97 96 66 11 6 11 61 6 61 6 91 14 11 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W W O W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">185</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">9.99 9.51 7.46 7.12 6.11 4.34 4.18 3.66 2.84 2.70 2.51 2.27 2.24 1.68 1.42 1.36 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:z P:y P:x P:y P:x P:x P:x P:y D:yz D:yz P:z D:x2-y2 P:z D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">67 99 97 66 91 96 92 96 61 61 6 11 91 11 92 6 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">186</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">9.80 6.47 5.67 5.49 5.16 4.87 3.90 3.85 3.85 3.81 3.80 3.54 2.55 2.54 2.21 1.82 1.24</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:z P:y P:y D:x2-y2 P:z D:x2-y2 P:x D:z2 P:y D:xy P:y P:z D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">31 52 22 33 52 50 1 51 16 28 1 32 16 28 31 16 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O W O W O W O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">187</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.12 10.75 8.14 8.05 4.92 3.87 3.56 3.03 2.72 2.62 2.51 2.48 1.93 1.34 1.24 1.23 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:z P:y P:x P:y P:x P:x D:yz D:yz P:x P:y P:z D:xz D:x2-y2 P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">33 50 51 32 31 52 22 52 16 1 28 28 31 16 1 22 32 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O W W 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">-10.878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">188</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">10.24 7.08 5.50 4.28 4.11 3.82 3.27 2.88 2.72 2.34 2.25 2.25 2.15 1.98 1.94 1.70 1.70 1.66 1.56 1.54 1.43 1.22 1.18 1.17 1.13 1.06 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:y P:x P:y P:z P:x P:z D:x2-y2 D:xz D:yz P:x P:y P:y P:z D:yz P:y P:x P:y P:z D:x2-y2 D:yz D:z2 D:yz D:xy P:z P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">62 62 60 91 70 60 96 70 13 12 8 92 58 96 97 13 66 61 61 58 7 9 8 14 7 67 99 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O W W W O O O O W O O O O W W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.867</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">189</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.35 7.15 6.38 4.78 4.51 3.83 3.48 3.38 3.28 2.78 2.52 2.49 2.27 1.99 1.90 1.87 1.79 1.48 1.36 1.25 1.22 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:z P:y P:y P:z P:z P:y P:z P:z P:y P:y D:x2-y2 D:x2-y2 D:xz D:z2 P:x P:z D:yz P:x D:xz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 70 58 62 58 67 99 97 62 66 60 10 14 9 15 91 60 14 96 15 9 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O W W W W O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">190</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.91 11.12 7.70 6.45 6.15 4.45 3.59 3.16 2.98 2.90 2.59 2.17 2.05 1.95 1.72 1.71 1.48 1.34 1.13 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:y P:x P:z P:x D:xz D:x2-y2 P:y P:x D:yz D:yz D:x2-y2 D:z2 P:x P:y D:xy P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</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 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">29 29 27 31 27 52 2 3 52 22 18 3 17 18 28 28 17 31 18 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W W O O W W W W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.757</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">191</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.76 7.39 4.24 4.10 3.68 3.50 3.49 3.17 2.97 2.43 2.31 2.23 2.01 1.96 1.73 1.65 1.52 1.47 1.43 1.40 1.30 1.22 1.20 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:z P:x P:y P:z P:x P:y D:x2-y2 D:x2-y2 P:x P:y P:x P:z P:z D:yz P:z D:xz P:z D:xz P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</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 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">90 57 63 57 89 81 90 59 63 15 9 49 69 74 89 68 8 56 7 59 12 72 57 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O W W O O O O O W O W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.746</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">192</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.13 8.00 6.01 4.68 4.20 3.53 3.35 3.00 2.72 2.46 2.41 2.31 1.80 1.69 1.62 1.60 1.60 1.58 1.57 1.37 1.26 1.25 1.22 1.16 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:z P:z P:x P:z P:y P:x P:x D:x2-y2 P:z P:y P:x P:z P:y D:z2 P:z P:z D:x2-y2 P:y D:x2-y2 D:xz D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">59 89 49 89 68 90 59 72 57 82 14 56 63 63 90 81 14 49 57 9 89 10 10 13 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O O O W O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.740</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">193</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">13.40 10.56 7.33 6.01 5.48 4.82 4.14 4.00 3.12 2.88 2.78 2.67 2.51 2.17 1.72 1.35 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:z P:y P:z P:z P:y P:y P:z D:yz D:x2-y2 D:z2 D:xz D:x2-y2 D:yz D:xy D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</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 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">36 36 25 25 51 32 50 33 4 20 5 19 4 19 19 5 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O 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">-10.696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">31.93 7.85 7.63 3.94 3.67 3.55 3.05 2.74 2.56 1.78 1.51 1.50 1.27 1.15 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:z S D:x2-y2 S D:xz P:x P:x P:x S P:z P:x P:z D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.493 -6.681 -24.020 -6.681 -9.089 -9.089 -9.089 2.471 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.00 1.00 2.00 1.00 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">98 98 105 100 98 100 83 24 75 105 24 42 75 5 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O H Tc O Tc O O O H O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">195</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.98 7.78 5.98 4.12 3.83 3.61 3.42 3.07 2.91 2.87 2.01 1.95 1.80 1.69 1.65 1.50 1.42 1.27 1.27 1.22 1.16 1.16 1.16 1.11 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 P:x P:z P:z P:x P:z D:x2-y2 P:x P:x D:xz P:z P:x P:z D:xz P:z D:x2-y2 D:z2 P:y P:y D:z2 D:x2-y2 P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">55 26 42 55 34 24 26 4 75 44 17 95 83 24 20 42 20 4 55 83 3 5 94 75 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W O O W O O O W 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">-10.604</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">196</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">13.36 6.75 5.85 3.56 3.50 3.42 3.29 3.26 2.93 2.89 2.35 2.24 1.93 1.62 1.55 1.51 1.39 1.33 1.22 1.21 1.20 1.20 1.13 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:x P:y S P:y P:z P:x P:z P:x P:z D:x2-y2 P:z D:x2-y2 D:yz S D:xz P:y P:x P:x P:x P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.493 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -4.492 -24.020 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 0.80 2.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">98 24 75 83 105 94 98 55 24 26 75 19 34 100 18 98 100 35 40 42 83 55 26 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O H O O O O O O W O Tc W O Tc O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">197</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">33.76 8.11 7.35 4.54 3.82 3.11 2.97 2.90 2.12 1.97 1.70 1.25 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:y S P:z D:x2-y2 S D:xz P:y P:x P:x P:y S P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -6.493 -9.089 -6.681 -24.020 -6.681 -9.089 -9.089 -9.089 -9.089 2.471 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.00 1.33 1.00 2.00 1.00 1.33 1.33 1.33 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">72 104 72 102 72 102 69 71 57 81 104 76 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O H O Tc O Tc O O O O H O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.470</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">198</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.45 4.58 4.21 3.45 2.37 2.07 2.01 1.86 1.80 1.79 1.78 1.72 1.59 1.58 1.58 1.55 1.54 1.47 1.47 1.45 1.43 1.26 1.12 1.11 1.10 1.07 1.04 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:x P:y D:xz P:z P:x P:z P:y P:z D:xy P:z P:z D:xy P:z P:x P:y P:x P:x D:xy P:x P:x P:x D:yz D:xy P:z P:z D:yz S P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -6.493 -9.089 -9.089</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 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">38 72 103 38 66 68 49 73 14 96 63 103 56 99 91 76 97 11 80 49 67 7 10 57 61 13 104 69 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O Tc O O O O O W O O Tc O O O O O W O O O W W O O W H O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.410</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">199</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">7.16 3.41 2.64 2.29 2.06 1.95 1.79 1.75 1.64 1.53 1.52 1.42 1.40 1.40 1.31 1.27 1.26 1.24 1.24 1.22 1.19 1.18 1.16 1.16 1.15 1.10 1.07 1.07 1.06 1.06 1.06 1.05 1.05 1.03 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:x P:z P:z D:xz D:yz P:x P:x D:z2 P:x D:xz P:y D:xy P:x P:x P:y D:xz D:xy P:x P:y P:z D:x2-y2 P:z P:z P:z D:z2 P:x D:xy P:x P:x P:z P:x P:z P:z D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.00 1.00 1.33 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 1.33 1.00 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">38 38 73 103 103 67 99 12 60 11 56 10 66 49 89 15 6 97 59 69 101 96 57 89 7 91 14 82 37 76 70 91 61 101 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O Tc Tc O O W O W O W O O O W W O O O Tc O O O W O W O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.398</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">200</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.97 3.64 3.63 2.77 2.55 2.43 2.32 2.17 2.15 2.12 2.02 1.71 1.62 1.53 1.52 1.49 1.48 1.48 1.37 1.33 1.32 1.31 1.29 1.24 1.18 1.13 1.09 1.05 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:y P:y P:y P:z P:z P:z P:y P:x P:z D:xy D:yz P:x D:x2-y2 D:z2 P:y D:x2-y2 P:z D:x2-y2 P:y D:z2 P:y D:yz P:x P:z P:x P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089 -6.681 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.00 1.33 0.80 1.33 1.00 1.33 1.00 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 76 71 69 80 81 68 56 80 74 63 71 12 11 49 7 103 67 15 99 103 88 102 78 6 96 73 82 82 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O W W O W Tc O W O Tc O Tc O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.364</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">201</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">3.41 3.10 2.84 2.76 2.47 2.40 2.34 2.16 2.10 2.07 2.01 1.90 1.87 1.56 1.56 1.55 1.53 1.53 1.51 1.44 1.37 1.37 1.36 1.28 1.27 1.26 1.23 1.22 1.20 1.18 1.10 1.08 1.06 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:x P:x D:xy P:y P:z D:xy P:z P:y P:z P:y D:xz D:xy D:z2 D:xy P:z D:xz P:x P:z P:x D:xz P:y P:y D:yz P:z D:yz D:xz P:y D:z2 P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">32 50 51 33 4 42 52 20 28 55 83 31 1 16 18 1 24 19 25 31 36 16 26 22 3 34 17 5 44 2 40 35 75 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O W O O W O O O O W W W W O W O O O W O O W O W W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">202</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.28 3.20 3.10 3.07 2.85 2.84 2.83 2.71 2.44 2.20 2.07 2.01 1.98 1.89 1.82 1.60 1.57 1.45 1.43 1.38 1.31 1.31 1.30 1.26 1.16 1.14 1.13 1.08 1.05 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">P:z P:z P:y P:y P:y P:x P:z P:y D:z2 P:x P:z P:z P:y P:y D:z2 P:z P:y D:yz P:x D:xz D:z2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 P:z D:xz P:y D:z2 P:z P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492</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 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.00 0.80 1.00 1.33 1.00 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">34 39 39 94 35 42 95 45 100 44 45 48 48 40 101 37 37 16 83 17 20 5 101 2 100 44 100 83 2 31 46 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O Tc O O O O O Tc O O W O W W W Tc W Tc O Tc O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.311</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">203</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.16 5.62 4.50 3.22 2.46 2.40 2.03 1.89 1.82 1.82 1.80 1.79 1.69 1.67 1.60 1.56 1.47 1.44 1.40 1.33 1.29 1.28 1.13 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:x P:x P:x P:x P:y P:z P:y P:y D:z2 P:x P:z P:z P:z D:yz D:xy D:xz P:y D:xy P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 10.371 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.00 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">76 80 80 76 62 96 91 80 76 90 71 14 73 99 59 70 107 9 8 67 13 70 71 88 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O W O O O O P 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">-10.296</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">204</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.31 5.51 4.93 4.08 3.27 2.98 2.98 2.91 2.49 2.15 1.99 1.92 1.82 1.42 1.36 1.35 1.31 1.29 1.23 1.16 1.11 1.10 1.09 1.09 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:z P:x P:y D:z2 P:x P:z P:x P:z P:y P:y D:xy P:z P:y D:x2-y2 P:y P:z D:xz P:y P:z P:z P:x D:xz D:x2-y2 P:x P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">68 49 81 102 82 80 63 56 63 71 103 71 69 103 74 49 103 73 73 99 97 102 102 74 96 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O Tc O O O O O O Tc O O Tc O O Tc O O O O Tc Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.252</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">205</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">3.51 2.97 2.47 2.23 2.02 1.82 1.68 1.46 1.46 1.40 1.39 1.17 1.12 1.08 1.06 1.06 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:x P:y P:x P:y P:y P:z P:x P:x P:z P:x P:z P:y P:y D:z2 P:x P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">73 80 81 37 71 72 80 40 71 89 76 39 94 24 6 27 39 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">206</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.84 3.75 2.03 1.99 1.97 1.90 1.60 1.60 1.51 1.50 1.46 1.46 1.37 1.32 1.32 1.25 1.22 1.15 1.08 1.06 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:z P:x P:x P:x P:y P:z P:y P:y P:y D:z2 P:z P:z P:y P:x P:x P:z P:y D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">73 80 71 42 44 76 39 34 71 97 37 6 80 95 24 37 63 39 72 11 27 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O W O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">207</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.96 6.40 5.38 2.77 2.76 2.65 2.23 2.11 1.96 1.89 1.86 1.71 1.68 1.65 1.57 1.57 1.52 1.52 1.29 1.25 1.24 1.14 1.11 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:x P:x P:x P:y P:x P:z D:z2 P:z P:y P:x P:z D:xz D:xy P:z D:yz D:x2-y2 P:z D:x2-y2 P:y D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 10.371 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.00 0.80 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">45 48 48 52 45 29 75 31 50 4 45 48 39 36 18 19 37 106 17 26 3 37 16 33 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O W O O O O W W O P W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.218</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">208</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.03 5.39 3.21 3.18 3.08 2.79 2.78 2.39 2.36 2.05 1.98 1.80 1.74 1.72 1.66 1.57 1.54 1.52 1.50 1.49 1.25 1.19 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y P:y D:z2 P:x P:z P:x P:y P:z D:xy D:x2-y2 P:z P:y P:x P:x D:x2-y2 D:xz P:y P:z P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">94 34 45 83 101 83 39 42 35 95 100 101 42 39 40 44 100 100 37 31 40 37 52 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O Tc O O O O O Tc Tc O O O O Tc Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">209</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.22 7.05 4.54 2.06 1.94 1.61 1.50 1.42 1.38 1.37 1.29 1.26 1.26 1.18 1.13 1.12 1.10 1.09 1.07 1.06 1.04 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:y P:x P:x P:x P:z D:xy P:x P:z P:z S P:y P:y P:z P:z P:x P:z P:z P:x P:x D:xy S P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.493 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -24.020 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">72 71 76 38 76 11 73 39 68 104 67 76 72 66 61 38 86 42 74 15 72 80 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W O O O H O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.168</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">210</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.93 4.05 3.56 3.05 3.04 2.90 2.65 2.33 2.21 2.21 1.83 1.78 1.70 1.68 1.58 1.50 1.46 1.44 1.43 1.35 1.34 1.18 1.15 1.12 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:y P:y P:z P:x D:xy P:z P:z P:z P:y P:x P:x P:y D:z2 P:z P:z P:y P:y P:z P:z P:z D:xz P:x P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 10.371 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">45 37 39 37 48 1 39 48 45 31 55 24 33 16 52 32 51 28 50 34 22 16 46 50 106 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O O O O O O O W O O 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">-10.116</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">211</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.15 3.38 2.48 2.36 2.34 1.96 1.86 1.86 1.55 1.54 1.50 1.46 1.29 1.23 1.18 1.08 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:z P:x P:x P:y D:z2 P:x P:z P:x P:x P:z P:y P:y D:xy P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">48 45 48 37 39 51 16 38 45 80 76 37 22 39 16 79 32 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O W O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.098</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">212</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.14 7.01 4.78 4.42 4.13 2.64 2.54 2.33 2.21 2.11 2.00 1.93 1.93 1.73 1.46 1.43 1.38 1.35 1.18 1.13 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:z P:x P:y P:x P:z P:z P:y P:z P:x P:y S P:y P:x P:y P:z P:z P:y P:x P:z D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">81 68 71 63 49 73 49 69 56 63 74 103 73 82 90 82 59 76 74 80 8 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O Tc O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.046</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">213</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.05 5.52 5.32 4.34 3.67 3.67 3.48 3.32 2.96 2.88 2.79 2.41 2.12 1.81 1.62 1.60 1.50 1.15 1.12 1.12 1.09 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x D:xz P:z P:z P:x P:z D:xy P:x P:y P:y P:y D:xy P:y D:xz P:z D:xz D:x2-y2 P:y P:y D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">99 67 11 91 61 66 96 6 97 96 92 89 10 91 6 57 15 6 97 71 14 59 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W O O O O W O O O O W O W 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">-10.023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">214</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.13 7.15 5.04 3.52 3.21 3.01 2.45 2.17 2.16 2.13 1.91 1.90 1.89 1.57 1.53 1.36 1.30 1.26 1.08 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:z P:y P:x P:z P:x P:y P:y S P:z P:z P:y P:x P:x P:y P:x P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">94 34 83 42 42 37 35 39 101 39 95 40 44 83 75 38 26 40 44 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">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">-9.986</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">215</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.69 2.73 2.57 2.55 2.18 2.12 2.11 2.10 2.08 1.97 1.94 1.77 1.63 1.57 1.53 1.53 1.51 1.51 1.50 1.48 1.35 1.34 1.32 1.27 1.22 1.16 1.16 1.12 1.04 1.04 1.03 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">P:x D:yz P:x P:y P:z P:z P:x P:y P:z D:z2 D:xy D:z2 P:z D:z2 P:x P:x P:z P:y D:xy D:xy P:x P:z P:x D:x2-y2 P:z D:x2-y2 P:y P:y D:xy D:xy P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">70 10 60 89 57 58 62 59 91 15 14 12 90 8 96 67 92 96 13 7 97 62 63 7 99 6 61 49 11 9 99 67 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O W O O O O O O O W W W O W O O O O W W O O O W O W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.952</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">216</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.95 5.50 5.34 4.50 4.02 3.75 3.37 3.35 3.33 3.05 2.79 2.48 2.16 1.92 1.58 1.45 1.42 1.14 1.12 1.08 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:x D:xz P:x P:z P:z D:xy P:x P:y P:y P:x P:z P:y D:xy P:z D:xz P:y D:x2-y2 P:y D:xz P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">50 1 33 31 28 16 32 22 52 51 52 55 20 24 5 31 16 37 16 45 48 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O W O O O W O O O O O O W O W O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.908</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">217</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">13.43 6.27 2.41 2.22 2.03 1.77 1.34 1.28 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:x P:z P:y P:z D:z2 P:y P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">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="9">38 38 97 66 6 38 67 99 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-9.890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">218</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">3.13 2.91 2.91 2.54 2.17 2.16 1.93 1.92 1.89 1.86 1.74 1.71 1.70 1.59 1.55 1.53 1.53 1.50 1.42 1.39 1.34 1.28 1.27 1.25 1.22 1.22 1.16 1.14 1.13 1.11 1.10 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:x P:x D:yz P:z P:y D:xy P:z P:y P:z P:z P:z P:x D:xy P:y P:z D:z2 P:y P:z D:xy D:xy P:x D:z2 P:x D:z2 P:y P:x D:z2 D:yz P:x D:xy D:x2-y2 P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">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 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">27 36 29 20 31 55 17 50 26 24 25 75 83 18 33 22 2 52 29 3 4 51 18 33 5 28 42 3 5 52 19 2 94 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O W O O W O O O O O O W O O W O O W W O W O W O O W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">219</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.92 2.46 1.99 1.95 1.85 1.81 1.64 1.62 1.59 1.50 1.48 1.47 1.39 1.39 1.39 1.36 1.25 1.25 1.23 1.18 1.13 1.11 1.11 1.09 1.08 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:y P:x P:z P:z P:x P:y P:y P:z D:x2-y2 P:x P:z P:x P:z P:x P:x P:y P:x D:yz D:x2-y2 P:z P:y D:yz P:y P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.00 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">38 63 68 62 81 38 70 62 56 69 9 93 65 58 62 80 76 70 49 15 8 49 86 102 49 82 14 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O W O O O O O O O O W W O O Tc O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">220</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.22 2.20 2.15 2.06 2.02 2.01 1.88 1.68 1.66 1.62 1.60 1.57 1.46 1.46 1.37 1.35 1.35 1.35 1.33 1.32 1.28 1.28 1.24 1.21 1.18 1.16 1.14 1.12 1.11 1.09 1.03 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:x2-y2 P:z P:x D:yz P:y P:y D:z2 P:x D:x2-y2 P:y P:z P:y D:xy P:y P:z D:x2-y2 P:x P:y P:z P:z P:y P:z D:x2-y2 P:y D:yz D:xz P:z P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 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 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">7 8 62 70 15 62 91 13 58 12 57 81 67 12 56 60 6 63 68 96 99 92 69 9 97 7 14 23 69 65 89 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W O O W O O W O W O O O W O O W O O O O O O W O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">221</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">2.48 2.44 2.12 2.09 2.06 2.06 2.02 1.96 1.88 1.88 1.87 1.80 1.65 1.58 1.48 1.44 1.43 1.39 1.39 1.38 1.38 1.36 1.33 1.27 1.21 1.17 1.15 1.14 1.12 1.12 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:y P:z P:x P:y D:yz P:y D:x2-y2 P:z P:x P:y D:z2 P:z P:y P:x P:z P:y P:y P:x P:y P:z P:y D:xy D:z2 P:z D:z2 D:yz D:yz D:x2-y2 D:yz D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.00 0.80 1.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">94 34 79 83 36 5 29 19 29 25 41 4 36 95 38 35 42 51 36 33 32 44 20 3 42 19 20 100 18 101 18 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O W O W O O O W O O O O O O O O O O W W O W W Tc W Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.706</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">222</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">2.66 2.48 2.47 2.31 2.30 2.22 1.92 1.79 1.74 1.71 1.69 1.67 1.50 1.43 1.41 1.37 1.36 1.34 1.27 1.22 1.20 1.17 1.16 1.09 1.08 1.06 1.06 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y D:x2-y2 P:z D:z2 D:z2 P:x P:z P:y D:yz P:z P:x P:y P:z D:xy P:y D:yz P:y P:x D:xz P:y P:y D:x2-y2 P:z P:y D:x2-y2 D:xy P:y P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">29 18 29 17 3 36 94 31 5 52 25 34 27 2 22 17 33 83 4 27 95 16 50 24 2 20 35 28 55 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O W O W W O O O W O O O O W O W O O W O O W O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">223</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">2.81 2.69 2.69 2.56 2.46 2.38 2.37 2.15 2.14 2.06 2.04 2.03 1.76 1.71 1.58 1.58 1.56 1.50 1.47 1.39 1.39 1.36 1.26 1.26 1.23 1.22 1.22 1.14 1.11 1.10 1.07 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:z P:y P:y D:xz P:z D:z2 P:y P:x P:y P:z P:y D:xy D:xy P:y D:z2 D:x2-y2 D:xz P:z D:x2-y2 P:x P:y D:xy P:y D:z2 D:x2-y2 D:xz P:z D:yz P:z P:z P:y P:x P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">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 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">92 77 66 6 88 11 67 97 61 99 90 9 11 91 6 6 14 59 12 88 57 13 58 7 11 8 97 15 23 96 54 77 66 14 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O W O W O O O O O W W O W W W O W O O W O W W W O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.527</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">224</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.88 3.77 3.52 3.01 2.91 2.45 2.38 2.24 2.00 1.93 1.79 1.75 1.74 1.74 1.73 1.73 1.62 1.56 1.55 1.55 1.49 1.42 1.39 1.39 1.37 1.34 1.34 1.33 1.33 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:y P:x P:y P:z P:y P:y D:xy P:x P:x D:xy D:xz P:z P:y P:z P:z D:yz P:x D:z2 P:z P:y D:z2 P:y D:yz P:x P:z D:xy P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">92 61 62 56 69 49 99 8 70 60 13 13 97 96 91 63 10 93 9 67 66 12 68 103 64 58 7 67 77 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O W O O W W O O O O W O W O O W O Tc O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">225</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.27 2.23 2.19 1.97 1.94 1.91 1.91 1.79 1.77 1.74 1.66 1.56 1.50 1.49 1.46 1.45 1.44 1.39 1.38 1.29 1.16 1.15 1.10 1.10 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y D:xz D:xy P:x P:y P:y P:y D:z2 P:y D:z2 D:x2-y2 P:x P:z P:z D:xy P:y D:xy P:y P:z P:z D:xz P:z P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 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="26">22 28 16 1 51 32 85 31 17 33 1 2 46 50 46 19 75 3 24 84 51 4 52 55 26 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W W O O O O W O W W O O O W O W 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">-9.501</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">226</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.49 3.34 3.19 2.73 2.47 2.21 1.94 1.75 1.63 1.63 1.40 1.36 1.28 1.23 1.23 1.22 1.18 1.18 1.12 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:x P:x P:x P:z P:x D:x2-y2 P:z P:y P:y D:xy P:y P:x P:z D:xz D:xy P:y P:z D:xz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">73 69 23 54 77 73 56 12 54 63 61 11 58 96 64 14 12 92 88 7 7 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W O O O W O O O W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">227</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.15 2.79 2.60 2.47 2.05 1.72 1.64 1.62 1.60 1.46 1.45 1.43 1.42 1.30 1.28 1.25 1.23 1.18 1.15 1.13 1.13 1.03 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:x P:x P:x P:x D:xz D:xz D:xy P:z P:y P:x D:xz P:x D:xy P:y D:x2-y2 P:x D:xz D:xy D:z2 D:yz P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.00 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">49 65 56 58 86 14 9 9 63 23 23 13 64 10 90 8 88 7 14 103 15 90 74 73 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O W W W O O O W O W O W O W W Tc W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.485</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">228</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.85 4.04 3.96 3.82 3.20 3.13 2.11 1.87 1.84 1.80 1.78 1.76 1.76 1.71 1.69 1.36 1.26 1.22 1.22 1.19 1.12 1.11 1.06 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:z P:z P:y D:xz D:xz P:y P:x P:z P:y D:yz P:z P:z P:y P:y D:xz D:xy P:z P:z P:x D:xy D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">71 77 88 87 71 78 10 14 90 86 82 76 11 59 80 74 65 8 9 61 93 59 6 15 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W W O O O O W O O O O W W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.468</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">229</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.45 3.03 3.01 2.99 2.73 2.71 2.39 2.37 2.34 2.33 2.29 2.24 2.21 2.15 2.14 1.89 1.55 1.51 1.49 1.43 1.43 1.38 1.33 1.30 1.19 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:yz P:z D:yz P:y P:y D:yz P:x P:z P:y P:z P:y D:yz P:x P:z P:x P:x P:z P:z D:xy P:y P:y P:y P:z P:x D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">12 15 54 10 87 23 7 60 58 86 66 58 14 71 78 69 58 65 70 7 97 60 70 60 56 9 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W O W O O W O O O O O W O O O O O O W O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">230</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.37 3.14 2.84 2.50 2.46 2.08 2.04 1.94 1.90 1.80 1.61 1.61 1.58 1.50 1.48 1.41 1.37 1.28 1.28 1.14 1.11 1.11 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:y P:y P:y P:y P:z P:y P:z D:xy P:x D:xy P:x D:yz D:xz D:z2 P:z P:x P:y D:yz P:y D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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 1.00 0.80 0.80 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="24">29 22 28 95 42 50 35 32 83 18 53 3 36 100 3 19 33 33 52 20 34 5 51 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O W O W O Tc W W O O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">231</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.38 5.33 4.27 3.58 3.42 3.23 2.33 2.31 2.24 2.16 2.03 1.96 1.79 1.78 1.56 1.55 1.55 1.49 1.44 1.28 1.27 1.24 1.18 1.17 1.16 1.16 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:x P:x P:y P:z P:x P:x P:y D:z2 D:x2-y2 D:xz P:z P:x D:z2 D:xy P:y P:z P:y P:z D:z2 P:x D:z2 D:xy D:x2-y2 P:z P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">84 95 39 39 43 35 51 17 2 17 46 85 16 1 85 43 53 32 100 48 1 19 18 30 45 46 51 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W W W O O W W O O O O Tc O W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.415</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">232</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.26 2.99 2.92 2.74 2.68 2.37 2.26 2.11 2.07 2.03 1.97 1.86 1.74 1.72 1.60 1.35 1.29 1.26 1.25 1.20 1.11 1.08 1.07 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:y P:z D:yz P:x D:xz D:yz D:x2-y2 D:xz P:x D:xy P:x P:z P:y P:z P:x P:x D:xy P:x P:x P:x D:xy P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 0.80 1.33 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 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">84 43 2 27 3 17 18 4 79 17 41 30 27 42 29 37 19 34 35 53 4 83 27 26 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O W O W W W W O W O O O O O O W O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.393</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">233</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">2.79 2.52 2.50 2.27 2.12 2.10 1.97 1.58 1.55 1.34 1.08 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:y P:y P:z P:z P:z D:xy P:y P:x P:y D:z2 D:xz P:y D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">37 46 85 21 37 15 47 78 57 1 10 54 16 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O W O O O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.389</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">234</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">2.77 2.40 2.10 2.08 1.93 1.90 1.90 1.83 1.65 1.50 1.34 1.20 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:xy P:y P:x P:y P:z P:z P:y P:y P:y P:z P:x P:z D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">15 57 78 37 85 21 54 46 47 37 87 89 10 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">W O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.372</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">235</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">2.56 2.39 2.27 2.21 2.18 1.85 1.83 1.68 1.59 1.57 1.53 1.48 1.45 1.38 1.33 1.25 1.07 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y D:yz P:x P:y D:yz D:xy P:z P:z D:z2 P:z D:x2-y2 P:z P:z P:y D:z2 P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">25 20 25 21 5 20 79 23 19 47 8 53 25 41 7 44 22 42 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O W O O W W O 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">-9.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">236</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.98 2.87 2.80 1.81 1.48 1.48 1.47 1.43 1.43 1.41 1.39 1.38 1.34 1.33 1.30 1.26 1.24 1.23 1.20 1.20 1.15 1.14 1.12 1.09 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 P:z D:x2-y2 P:x P:x D:xz D:yz P:x D:x2-y2 P:z P:x P:x P:y D:x2-y2 P:z P:x P:y P:z P:z D:yz P:y P:z P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">7 23 12 56 71 10 5 87 7 89 25 54 64 8 79 62 62 77 62 20 54 42 93 21 25 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W O W O O W W O W O O O O W O O O O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.303</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">237</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.08 3.61 3.20 3.16 2.92 2.91 2.71 2.30 2.18 1.95 1.86 1.81 1.71 1.69 1.60 1.14 1.13 1.13 1.10 1.09 1.08 1.05 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xz P:z P:x P:z P:x P:y P:z D:z2 P:y P:x P:x D:xz P:y P:x P:x D:xy D:x2-y2 P:y P:z P:z P:x P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">5 20 55 21 84 47 24 44 17 43 85 46 1 22 95 44 17 16 40 43 28 40 84 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O O O O O W O O O W O O O W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.270</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">238</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.32 3.28 2.90 2.79 2.54 2.53 1.78 1.78 1.76 1.51 1.48 1.30 1.28 1.20 1.16 1.14 1.14 1.13 1.06 1.05 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:x P:x P:z D:xz P:y P:z P:z D:x2-y2 P:x P:z P:y P:y P:y D:xy D:xy P:y P:x P:z P:z D:xz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">65 86 86 14 63 49 56 9 74 65 78 69 88 9 15 57 78 85 59 13 59 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O W O O O O O W W O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">239</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.21 2.16 2.15 1.69 1.67 1.67 1.61 1.59 1.52 1.41 1.41 1.40 1.38 1.36 1.29 1.23 1.16 1.15 1.10 1.06 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z D:xy P:y P:x P:x D:x2-y2 P:y P:y P:z P:x P:z D:xy D:yz P:x P:y P:x P:z P:x D:xz P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 1.33 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">66 97 5 24 47 40 2 99 46 93 87 67 15 5 82 41 60 32 28 8 30 36 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W O O O W O O O O O W W O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">240</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.76 2.18 1.90 1.85 1.70 1.67 1.42 1.39 1.39 1.26 1.24 1.21 1.18 1.15 1.14 1.12 1.11 1.08 1.08 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 P:z D:z2 P:y P:x P:x D:xy P:x P:x D:z2 P:x P:x P:x P:x P:z P:y P:y P:x P:y P:x P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">2 84 17 43 92 87 15 37 74 10 43 82 61 95 35 46 49 70 24 78 35 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W O W O O O W O O W 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">-9.243</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">241</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.94 8.53 4.98 3.48 2.36 1.99 1.55 1.54 1.54 1.53 1.51 1.50 1.49 1.46 1.43 1.41 1.20 1.12 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:y P:z P:y P:x P:x P:z P:y P:y P:x P:z D:xz P:z P:y P:x D:yz P:z P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">97 66 67 99 92 91 74 58 61 96 58 15 99 82 61 10 63 56 80 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O W 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">-9.220</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">242</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.37 4.53 3.96 3.96 3.94 3.58 3.48 2.74 2.48 2.46 2.38 2.33 1.92 1.87 1.56 1.52 1.47 1.32 1.21 1.20 1.10 1.08 1.07 1.06 1.04 1.04 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:y P:z P:x P:z P:x P:y P:y D:xz D:yz D:xy P:z D:z2 P:z P:x P:y P:x P:z P:x P:y P:x P:y P:z P:y P:z P:y P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">58 66 64 58 93 70 97 13 11 8 70 6 77 99 66 68 97 81 99 76 86 65 88 90 59 74 67 67 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O 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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">243</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.80 2.40 2.38 2.18 2.12 1.78 1.62 1.54 1.48 1.48 1.39 1.39 1.33 1.30 1.22 1.15 1.14 1.13 1.12 1.09 1.08 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:z P:x P:x D:xy D:xy D:z2 P:z P:y P:z P:x P:x P:x P:x D:z2 P:y P:x P:z P:z D:xz D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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="24">43 37 84 38 21 5 2 20 35 34 94 44 22 40 47 17 42 95 83 39 20 3 36 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W W O O O O O O O W O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.170</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">244</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.76 4.54 3.59 3.56 3.52 3.41 3.17 3.12 2.35 1.84 1.53 1.53 1.51 1.42 1.34 1.33 1.32 1.28 1.27 1.26 1.26 1.20 1.16 1.14 1.14 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">P:x P:z P:y D:xz P:z P:x D:x2-y2 P:z P:y D:xy D:z2 P:y P:y D:xy P:y P:z P:z P:y P:z P:x P:z P:z D:xz P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">79 41 83 4 42 41 19 79 79 19 4 47 31 1 35 95 83 75 48 85 46 27 19 41 52 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O O W O O W W O O W O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.160</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">245</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.62 10.44 5.73 5.67 2.78 2.54 2.24 2.22 2.02 1.89 1.78 1.59 1.54 1.46 1.45 1.42 1.25 1.20 1.16 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:z P:y P:z P:y P:y D:xz P:z P:z P:x P:z P:x P:x P:y D:xy P:x P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="22">32 51 50 33 44 28 5 40 25 31 22 27 52 95 20 22 25 94 34 35 50 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W O O O O O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">246</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.71 4.16 3.50 2.96 2.92 2.65 2.51 2.45 2.22 2.14 1.91 1.84 1.71 1.61 1.59 1.43 1.40 1.30 1.20 1.12 1.11 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:y P:z D:xz P:y D:xy P:z P:y D:z2 D:yz P:z P:z P:z P:x P:x P:x P:y P:y P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">30 53 25 32 3 51 18 25 36 16 1 85 36 51 94 50 34 46 27 33 44 40 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O W 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">-9.106</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">247</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.79 5.78 5.60 4.98 4.87 3.86 3.73 3.33 2.58 2.39 1.90 1.90 1.87 1.86 1.71 1.37 1.26 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y P:x P:x P:z P:y P:x P:z P:y P:z P:z P:z P:y P:x P:y P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">92 61 61 91 97 96 96 61 66 67 92 91 99 66 92 87 60 69 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">248</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.54 5.32 3.47 2.92 2.85 2.84 2.73 2.71 2.51 2.30 2.19 2.11 1.69 1.66 1.51 1.45 1.40 1.34 1.31 1.22 1.18 1.16 1.10 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:x P:y P:z P:z P:x P:y P:z P:z P:y D:xz P:x P:x P:y P:y P:z P:y P:x P:z D:xy P:y D:xy P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">64 93 70 76 58 70 86 80 65 58 99 66 13 77 88 62 54 66 67 78 96 8 97 15 74 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O W O O O O O O O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">249</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">10.82 7.12 6.48 5.59 5.50 4.71 4.36 3.94 2.12 1.89 1.51 1.43 1.35 1.34 1.13 1.02 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:y P:z P:x P:y P:x P:x P:x P:z P:y P:z P:z D:xz P:z P:y P:z P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">60 60 92 62 61 91 96 62 76 80 86 12 54 23 65 86 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.031</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">250</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">11.52 6.56 6.20 5.84 4.96 3.81 3.35 3.35 3.00 2.59 2.21 2.19 2.17 1.63 1.21 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">P:x P:x P:x P:y P:y P:y P:z P:x P:z P:z P:z P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">22 28 31 28 52 32 51 52 28 31 22 33 50 22 32 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.025</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">251</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.29 5.14 4.92 4.48 3.66 3.45 2.73 2.56 2.33 2.07 2.04 1.91 1.88 1.63 1.54 1.39 1.36 1.29 1.27 1.26 1.21 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:y P:z P:z P:z P:x P:y P:y P:z P:z P:z P:x D:xz P:y D:xy P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">30 53 36 25 36 25 51 48 43 51 32 50 84 45 3 32 2 33 33 46 79 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O W O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.012</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">252</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.96 3.22 2.58 2.47 2.42 2.40 2.13 2.13 2.12 1.99 1.94 1.89 1.77 1.59 1.51 1.41 1.40 1.27 1.23 1.21 1.19 1.17 1.15 1.14 1.11 1.05 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 D:xy P:y P:y P:z P:y P:y P:z P:x P:x P:z D:xz P:z P:z P:x P:x P:z P:z P:y P:y P:x P:y P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">71 65 9 99 78 87 86 63 67 86 62 49 14 70 65 64 77 97 88 61 70 69 96 93 92 81 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O O O O O O O O O W O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.973</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">253</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.39 4.21 3.64 3.47 3.44 2.89 2.73 2.57 2.39 2.29 2.03 1.86 1.86 1.86 1.80 1.63 1.60 1.54 1.46 1.42 1.37 1.34 1.23 1.18 1.12 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x D:xy P:z P:z P:y P:x P:y D:xz P:y P:z P:y P:z P:y P:z P:x P:z P:z P:y P:x D:xy D:xy P:z P:x P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">54 78 15 87 56 69 49 74 10 88 68 64 77 73 86 63 54 82 23 23 12 13 73 68 81 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O O O O O W O O O O O O O O O O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.971</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">254</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">10.34 8.44 6.27 5.84 5.55 4.74 4.68 4.55 2.22 1.82 1.67 1.56 1.43 1.34 1.22 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:y P:x P:x P:x P:z P:x P:z P:y P:z P:y D:xz P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">27 27 29 22 28 52 29 31 48 45 43 84 2 79 41 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.956</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">255</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.27 4.66 2.97 2.76 2.75 2.68 2.57 2.46 2.35 2.29 1.77 1.75 1.75 1.65 1.55 1.32 1.22 1.16 1.16 1.14 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:y D:xz P:x P:y P:z P:y P:x P:x P:z D:xy D:z2 P:z P:y D:xz P:z P:z D:x2-y2 D:z2 D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">87 23 78 10 78 38 82 54 69 56 93 15 10 38 65 8 73 65 7 103 7 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O O O O O W W O O W O O W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.927</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">256</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.85 3.53 2.72 2.64 2.59 1.98 1.97 1.93 1.92 1.84 1.70 1.65 1.64 1.62 1.60 1.58 1.30 1.30 1.29 1.29 1.20 1.18 1.14 1.08 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:x P:z P:z P:y P:z P:x P:y D:z2 P:y D:xy P:z P:y P:y D:xy P:x P:y P:z P:x P:z P:y P:x P:x P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">43 84 84 39 85 35 21 47 46 2 43 5 94 47 39 17 27 45 53 43 41 40 83 42 30 95 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O W O W O O O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.916</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">257</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.86 8.39 5.78 4.27 2.25 2.20 2.15 2.08 2.00 1.92 1.69 1.63 1.36 1.35 1.31 1.25 1.24 1.15 1.14 1.09 1.09 1.07 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:z P:x P:z P:y P:z P:z P:y P:y P:y D:x2-y2 D:x2-y2 D:xz P:x P:z P:x D:z2 D:yz P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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">56 82 68 49 77 56 73 74 69 65 77 10 7 7 78 93 72 15 13 60 82 60 23 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W 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">-8.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">258</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.10 7.81 4.67 4.36 3.76 3.56 2.27 1.75 1.55 1.50 1.46 1.39 1.34 1.29 1.29 1.28 1.23 1.21 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y P:x P:y P:z P:y P:y P:y P:y P:z P:y P:z P:y P:z P:y P:z P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">74 69 63 81 69 88 73 90 64 57 74 86 92 74 63 60 89 91 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.905</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">259</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">2.81 2.56 2.54 2.45 2.14 1.97 1.92 1.89 1.80 1.79 1.74 1.56 1.56 1.54 1.52 1.45 1.37 1.35 1.33 1.32 1.32 1.28 1.25 1.21 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x D:xy P:y P:x P:x P:y P:x P:z P:x D:xz P:y P:x P:x P:y P:z P:x P:x P:y P:z P:z P:z P:x P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 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="25">79 19 47 37 41 41 35 42 29 4 50 82 30 94 21 85 95 30 33 36 43 53 83 2 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O W O O O O O O O W O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">260</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.02 3.52 3.47 3.21 2.89 2.40 1.52 1.46 1.40 1.36 1.36 1.30 1.22 1.17 1.12 1.12 1.06 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z P:z P:x P:z D:xz P:x D:x2-y2 P:x P:x P:y P:y P:y P:y P:x P:y D:xy P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">21 44 84 95 35 20 32 17 47 69 94 46 47 42 42 53 20 53 95 74 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O W O W O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.878</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">261</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.38 2.14 1.95 1.74 1.65 1.58 1.57 1.57 1.51 1.49 1.45 1.39 1.38 1.30 1.19 1.18 1.13 1.10 1.07 1.04 1.03 1.03 1.01 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:z P:y P:y P:x P:x P:x P:z P:x P:y P:x P:z P:x P:z P:z D:xy P:x P:z P:x P:z D:xy P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">56 95 34 95 49 47 38 42 82 35 43 21 93 87 59 40 8 44 63 58 38 14 40 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O W O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.841</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">262</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.32 2.71 2.47 2.25 2.18 2.18 1.99 1.59 1.45 1.44 1.38 1.35 1.30 1.29 1.25 1.20 1.15 1.14 1.13 1.12 1.11 1.08 1.06 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:z P:z P:x P:z P:x P:y P:y P:z P:x P:z P:x D:xz P:y P:x D:z2 P:y P:x P:x P:z D:xy P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">69 44 56 23 90 57 86 81 89 68 65 88 42 14 54 54 7 83 66 63 49 9 63 97 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O W O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.807</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">263</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">10.15 7.77 7.56 4.23 3.88 3.73 3.37 2.03 1.84 1.56 1.27 1.21 1.18 1.18 1.18 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:y P:z P:z P:y P:y D:yz D:yz P:z D:xy P:y P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">88 77 77 88 86 65 93 6 11 64 6 80 54 87 78 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O W W O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.801</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">264</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.68 2.64 2.56 2.41 1.81 1.77 1.70 1.65 1.63 1.63 1.45 1.42 1.41 1.39 1.39 1.37 1.35 1.34 1.32 1.26 1.24 1.24 1.19 1.15 1.12 1.10 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:y P:z P:x D:x2-y2 P:y P:y P:z P:y D:xy P:x P:x P:z P:x P:z P:y P:z P:z D:x2-y2 P:z D:z2 P:z P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="28">44 40 43 84 21 2 77 55 85 22 5 35 42 95 47 34 69 28 56 17 77 20 24 31 46 52 47 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O W O O O O W O O O O O O O O W O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">265</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.68 4.89 4.78 3.52 3.47 3.01 2.97 2.86 2.30 1.75 1.69 1.67 1.54 1.50 1.50 1.47 1.47 1.41 1.41 1.33 1.25 1.23 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:x P:x P:y P:y P:x P:x P:y P:x P:z P:z P:y P:y P:y P:y P:z P:x P:x P:z P:y D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="23">95 40 44 35 40 42 35 85 83 34 83 46 75 94 30 46 37 30 53 39 3 35 39</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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.784</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">266</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">5.69 4.73 3.54 2.80 2.00 1.60 1.43 1.36 1.35 1.35 1.33 1.29 1.25 1.17 1.16 1.15 1.10 1.07 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:z P:y D:z2 D:x2-y2 P:z P:z P:x P:y P:x P:y P:z P:y P:y P:y P:y P:z P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 93 13 8 88 81 68 35 87 68 78 87 59 94 70 90 30 81 61 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O W W O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">267</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.83 4.00 3.52 3.33 2.40 2.35 2.15 2.14 2.02 1.94 1.59 1.52 1.45 1.45 1.41 1.40 1.23 1.16 1.13 1.11 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:x P:z P:y P:x D:xz P:y D:xz P:x D:yz P:x P:z P:x P:z P:x P:x P:z P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.80 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="23">35 30 41 42 79 34 3 94 4 75 19 43 24 83 64 51 86 25 74 68 40 46 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W 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">-8.751</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">268</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">4.78 3.47 3.25 3.12 2.53 2.33 2.29 2.29 1.88 1.79 1.76 1.68 1.44 1.43 1.33 1.29 1.18 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:z P:x P:z D:xy P:x P:y D:xy P:y D:x2-y2 P:x P:z P:x P:z P:y D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">79 53 95 94 34 19 84 83 18 85 18 26 83 32 53 42 4 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O W O O W O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.746</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">269</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.35 3.76 3.30 3.15 2.92 2.48 2.46 2.45 2.28 2.22 2.17 2.07 2.01 2.00 1.93 1.91 1.39 1.37 1.36 1.35 1.33 1.33 1.26 1.24 1.23 1.20 1.18 1.14 1.06 1.04 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:z D:xz D:xz P:x P:x P:z P:y P:z P:x P:z P:x P:y P:z P:y D:xy P:x P:z P:y D:x2-y2 P:z P:z D:yz P:z P:y P:x D:yz P:y D:xy P:y P:y P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 1.33 0.80 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">77 88 6 11 97 66 87 49 96 99 74 58 78 63 82 6 67 92 86 11 67 91 102 65 68 23 103 61 11 91 56 70 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W W O O O O O O O O O O O W O O O W O O Tc O O O Tc O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.741</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">270</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.83 7.47 6.12 5.02 3.61 3.32 2.34 1.78 1.68 1.53 1.42 1.39 1.34 1.27 1.23 1.20 1.09 1.08 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:y P:z P:x P:y P:z P:y D:yz P:z P:z D:yz P:x P:z D:x2-y2 P:x P:z D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">46 46 85 85 30 53 41 79 1 30 84 16 41 52 1 53 32 3 85 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W O O 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">-8.710</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">271</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.29 8.66 3.56 3.36 3.03 2.96 2.92 2.86 2.61 2.34 2.16 1.96 1.85 1.84 1.60 1.58 1.55 1.35 1.27 1.22 1.21 1.17 1.11 1.08 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y D:z2 P:z P:y P:y P:z P:x P:x D:yz D:xy P:z P:z D:z2 P:y D:yz P:z P:y P:z P:y D:yz P:x P:z P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">86 65 6 88 78 93 77 77 88 14 11 64 87 11 77 9 70 88 58 54 15 62 23 87 9 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O O O O O O W W O O W O W O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">272</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">5.56 4.25 3.61 2.62 2.36 2.06 1.88 1.59 1.53 1.51 1.50 1.36 1.24 1.21 1.12 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:z P:y D:z2 P:z D:x2-y2 P:z P:z P:z P:x P:y P:y P:y P:z P:y P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">53 30 85 3 46 18 85 94 47 34 46 21 40 75 26 83 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O W O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.18 7.60 7.02 6.29 4.63 3.49 2.99 2.81 2.61 2.42 2.38 2.36 1.82 1.71 1.68 1.65 1.54 1.41 1.38 1.23 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:z P:z D:yz P:y D:yz D:z2 P:z P:z D:yz P:y D:z2 P:y P:y P:z P:x P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">86 87 65 78 10 67 14 9 88 99 15 66 14 97 78 87 78 88 77 70 97 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W O W W O O W O W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">274</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.21 4.35 4.25 3.28 2.95 2.22 2.07 2.07 1.99 1.87 1.76 1.68 1.63 1.59 1.48 1.46 1.41 1.35 1.35 1.18 1.17 1.16 1.15 1.11 1.09 1.09 1.08 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:y P:z P:x P:y P:x P:x P:x P:x D:x2-y2 P:z D:xz P:z D:x2-y2 P:x P:y P:z P:z P:z P:z P:x D:xy P:y P:y P:y P:z P:x D:x2-y2 P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">93 64 88 77 77 64 62 60 6 56 11 68 8 65 54 86 88 23 78 93 11 64 65 23 63 89 13 86 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W O W O W O O O O O O O W O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">275</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="37">4.08 3.28 2.78 2.62 2.60 2.43 2.42 2.39 2.38 2.34 2.33 2.25 2.18 2.00 1.86 1.63 1.56 1.54 1.53 1.47 1.43 1.36 1.36 1.32 1.28 1.27 1.25 1.23 1.18 1.15 1.12 1.11 1.08 1.06 1.04 1.03 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:xz P:x P:y P:y P:x D:xy P:z P:z P:z P:z D:xz P:y P:x P:x P:y P:y P:z D:xy P:z D:yz P:x P:x P:z P:z P:z D:xy D:yz P:x P:y P:z P:y P:x D:x2-y2 D:z2 P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">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 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.00 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="37">16 51 85 42 32 1 46 52 40 83 1 44 25 50 31 34 21 100 22 101 33 29 31 79 33 16 100 84 32 95 95 43 1 5 94 30 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">W O O O O W O O O O W O O O O O O Tc O Tc O O O O O W Tc 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">-8.656</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">276</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.35 4.15 2.74 2.22 1.93 1.86 1.64 1.54 1.38 1.36 1.35 1.34 1.32 1.32 1.31 1.30 1.26 1.22 1.22 1.21 1.17 1.14 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:x P:z D:xz P:z P:y P:y P:x P:z P:z P:x P:x D:yz P:y P:x D:xy D:yz P:x P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">93 23 54 8 30 88 77 93 62 23 46 64 12 64 82 13 8 85 54 96 65 49 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W O O O O O O O O W O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.651</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">277</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">4.08 3.02 2.80 2.74 2.74 2.63 2.56 2.19 1.53 1.49 1.48 1.32 1.30 1.27 1.23 1.20 1.16 1.15 1.13 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:x D:xy P:x P:x P:y P:x P:y P:y P:y P:z P:y P:x P:y P:z P:x D:x2-y2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 53 46 13 54 85 23 93 88 91 54 30 62 23 43 84 29 8 79 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W 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">-8.630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">278</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">2.59 2.53 2.49 2.48 1.91 1.88 1.82 1.66 1.58 1.52 1.52 1.33 1.32 1.23 1.23 1.22 1.22 1.22 1.16 1.14 1.14 1.09 1.06 1.05 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:y P:x P:x P:y P:z P:y P:y P:z P:z P:x P:y P:x P:x P:z P:y P:y P:z P:z P:z P:y D:x2-y2 P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">89 46 85 54 54 59 43 89 79 74 87 84 82 78 63 49 82 53 62 59 41 23 65 7 30 23 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">279</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.13 4.98 4.80 3.32 3.15 2.56 2.36 2.26 2.09 2.05 2.01 1.93 1.72 1.68 1.61 1.58 1.53 1.53 1.48 1.44 1.39 1.36 1.30 1.27 1.22 1.15 1.13 1.06 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:x P:y P:x P:x P:y P:z P:z P:x P:x P:z P:x D:xz P:y P:z D:xz P:x D:xy P:z P:y D:xz D:z2 P:x P:z P:y P:y P:z P:x D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">86 90 65 57 59 54 90 57 86 74 63 82 13 49 59 9 89 14 87 81 10 102 97 68 69 74 23 66 102 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O W O O W O W O O W Tc O O O O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.609</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">280</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.05 4.99 4.59 4.25 3.81 3.76 3.44 3.20 2.49 2.38 2.32 2.00 1.98 1.91 1.86 1.64 1.62 1.53 1.43 1.40 1.40 1.19 1.13 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:y P:x P:x P:z P:z D:xy D:yz D:xy D:x2-y2 D:xz P:y P:x P:z P:z P:y P:z P:y P:z D:yz P:y D:x2-y2 P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">43 30 84 84 53 53 43 3 2 17 18 18 31 30 85 52 22 47 28 28 17 21 2 22 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W W W W W O O O O O O O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.598</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">281</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.60 6.08 5.69 4.04 3.96 3.78 3.77 3.75 3.42 3.17 2.92 2.84 2.62 2.41 2.10 1.59 1.51 1.48 1.43 1.38 1.23 1.19 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:y P:z P:y D:z2 D:yz P:z P:y P:y P:z P:y P:x D:yz P:z P:x D:z2 D:yz P:z P:y P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">47 79 85 21 46 19 5 50 21 41 51 79 44 19 36 42 16 20 25 33 32 32 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W W O O O O O O W O O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">282</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.02 6.48 5.20 4.54 4.43 4.37 4.19 4.18 3.45 2.65 2.49 2.30 2.16 1.83 1.77 1.50 1.50 1.38 1.19 1.17 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:z P:z P:y P:y P:y D:yz D:yz D:z2 P:y P:y P:y D:z2 P:z P:y P:y D:x2-y2 D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 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="21">47 46 41 85 41 79 21 4 20 1 33 36 32 16 21 25 85 16 1 40 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W W W O O O 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">-8.577</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">283</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.01 3.61 2.60 2.32 2.14 2.10 1.83 1.73 1.60 1.56 1.55 1.46 1.42 1.37 1.33 1.31 1.28 1.27 1.27 1.25 1.25 1.19 1.14 1.07 1.03 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:z P:y P:y P:x P:z P:y P:x P:x P:y P:x P:x P:x P:x P:x P:y P:z P:z P:y P:z P:z P:z P:x P:z P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">21 40 47 55 44 79 24 84 43 26 23 36 46 83 78 24 87 54 55 41 53 47 43 75 42 83 84</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">-8.557</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">284</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.87 9.50 8.69 5.80 2.71 2.52 2.10 2.00 1.98 1.91 1.84 1.83 1.70 1.60 1.58 1.26 1.25 1.23 1.09 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:x P:y P:x P:y P:x P:z P:x P:z P:z P:z P:x D:x2-y2 P:z P:x P:y P:z P:y P:x D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 78 23 65 59 59 90 64 23 56 82 13 65 49 59 78 61 89 15 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O 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">-8.553</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">285</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">8.46 8.02 7.47 5.14 4.56 4.11 3.52 2.05 2.04 1.58 1.53 1.51 1.47 1.45 1.45 1.16 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:x P:z P:y P:x P:z P:y P:z P:x P:x P:x P:y P:z D:z2 P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">87 93 86 93 54 90 54 92 57 64 63 65 64 8 90 69 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.519</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">286</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.04 4.03 3.69 3.51 2.99 2.68 2.29 1.98 1.97 1.96 1.92 1.92 1.84 1.77 1.59 1.59 1.56 1.56 1.52 1.50 1.40 1.38 1.38 1.32 1.28 1.23 1.22 1.21 1.21 1.19 1.13 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:x P:x P:x P:x P:z P:z P:z P:z D:xz P:z P:z P:y P:x P:y P:y P:x P:y P:y D:xy P:x D:xz P:z D:xz P:y P:z P:x P:x P:x P:z D:x2-y2 D:xy D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">26 75 24 55 75 95 34 26 19 83 30 42 41 35 94 94 53 28 4 44 3 22 20 26 41 21 47 79 24 3 5 101 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O W O O O O O O O O O W O W O W O O O O O O W W Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.494</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">287</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">10.84 7.92 6.24 4.68 4.62 3.91 3.77 3.76 1.89 1.66 1.61 1.57 1.42 1.19 1.15 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:x P:z P:x P:y P:x P:y P:y P:x P:z D:z2 P:z P:y P:z P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">41 53 21 30 43 43 79 53 84 75 18 22 41 79 47 2 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.488</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">288</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.15 8.13 7.81 6.33 4.73 3.33 3.07 2.99 2.01 1.73 1.58 1.57 1.52 1.52 1.42 1.37 1.15 1.15 1.11 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:y P:x P:y P:x P:x P:z P:x P:z P:y P:z P:x P:z P:y P:x P:x P:x P:z P:z P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="20">79 30 47 84 75 84 26 21 43 41 40 95 35 44 43 53 75 26 40 5</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.359</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">289</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.99 5.17 4.87 2.65 2.61 2.60 2.22 2.20 2.06 2.03 1.83 1.82 1.43 1.21 1.17 1.10 1.09 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:z P:y D:z2 P:z P:x P:x P:z P:y P:x P:z P:x P:z P:z D:xy P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">38 38 78 103 77 71 93 80 69 54 54 72 88 86 103 23 66 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O Tc O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">7.75 4.27 3.95 3.80 3.76 3.41 3.32 2.73 2.66 2.36 2.19 2.05 1.94 1.75 1.55 1.51 1.47 1.40 1.24 1.15 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:y P:y P:x P:z P:y P:x P:z P:y P:x P:y P:x P:z P:x P:y P:z P:x P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">71 88 76 72 87 38 23 80 77 64 86 87 38 54 65 56 73 88 93 86 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.334</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">291</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.77 6.05 5.21 5.03 4.20 4.16 3.53 3.05 3.02 3.00 2.95 2.50 2.32 2.21 2.17 2.08 2.07 2.02 1.93 1.90 1.71 1.69 1.18 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:z P:y P:y D:yz P:y D:yz P:z P:y P:y P:x D:z2 P:z P:y P:z P:z P:z D:yz D:z2 D:z2 P:z P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">78 87 88 86 58 10 65 15 58 77 99 65 9 65 66 86 67 97 14 11 6 77 67 78 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O W O W O O O O W O O O O O W W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.323</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">292</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">7.88 5.60 3.86 2.90 2.78 2.77 2.66 2.60 2.49 2.21 2.08 1.98 1.87 1.86 1.79 1.34 1.29 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:z D:x2-y2 P:x P:y P:z P:y P:x P:z P:z P:z P:y P:x P:y P:y P:z P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">38 38 65 103 65 77 38 87 54 73 86 87 35 86 73 78 95 23 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O Tc O O O O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.316</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">293</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.48 5.10 4.50 3.66 2.77 2.62 2.25 2.20 2.11 2.08 1.94 1.81 1.80 1.52 1.51 1.39 1.39 1.33 1.26 1.15 1.15 1.15 1.14 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:x P:z P:z P:y P:x P:y P:z P:y P:x P:z D:xz P:x D:z2 P:x P:x D:xy P:x P:y P:z P:x D:z2 P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">38 23 78 88 38 86 87 65 86 77 77 14 88 103 99 67 103 54 58 82 59 7 38 91 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O W O Tc O O Tc O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">294</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.86 7.78 7.38 6.67 6.20 6.04 5.67 3.23 3.01 2.53 2.46 2.42 2.07 2.01 1.71 1.64 1.63 1.62 1.47 1.39 1.38 1.28 1.26 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:y P:x P:y P:x P:x P:z P:z D:xy P:x D:xy D:yz P:y D:x2-y2 D:xy D:x2-y2 P:y P:y P:z D:x2-y2 D:yz D:xz D:xz P:z D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">23 88 64 77 54 54 93 13 23 7 12 93 12 11 7 60 77 64 8 7 8 6 60 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W O W W O W W W O O O W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.287</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">295</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.36 5.65 4.17 4.13 3.23 3.13 2.91 2.87 2.86 2.39 2.35 2.17 2.16 2.14 2.05 1.85 1.72 1.34 1.19 1.19 1.14 1.11 1.11 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 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:x P:y P:x P:y P:x P:z P:y P:x P:y P:z P:y P:z P:z P:z S P:y P:z P:x P:x P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 2.00 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="25">98 39 48 39 53 46 30 84 43 45 45 21 85 46 85 43 100 94 47 75 85 53 98 47 48</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 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">-8.253</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">296</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.34 9.79 6.76 4.90 4.33 4.11 2.74 2.58 2.41 2.24 2.21 2.11 1.80 1.74 1.73 1.47 1.41 1.36 1.30 1.28 1.28 1.13 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:y P:y P:x P:z P:z D:xy P:x P:z P:y D:x2-y2 D:yz D:yz D:xz D:xy P:z D:x2-y2 P:z P:z P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">46 85 43 84 30 84 53 43 1 53 30 53 18 17 2 16 3 85 2 79 47 21 17 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W O O O W W W W W O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.245</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">297</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.92 3.73 3.63 3.33 3.27 2.70 2.62 2.51 2.43 2.11 2.09 2.07 2.04 1.90 1.89 1.81 1.68 1.64 1.61 1.57 1.54 1.43 1.42 1.36 1.30 1.25 1.24 1.23 1.21 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:y P:y P:z P:y P:z P:x P:z P:y P:y P:x P:z P:y D:xy P:z P:y P:y P:x P:z P:z P:x D:z2 P:y P:z P:y D:xy D:x2-y2 D:xy D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">53 85 30 46 84 47 33 43 21 52 50 31 27 3 79 28 41 51 27 22 32 2 35 95 50 20 17 17 18 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O W O O O O O O O W 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">-8.223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">298</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.05 6.34 4.51 4.51 4.46 4.42 3.75 3.74 3.62 3.39 3.20 3.18 3.16 2.65 2.46 2.39 2.07 1.99 1.87 1.84 1.71 1.57 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:y P:y D:yz P:z P:y P:z P:z D:yz P:y P:y P:z P:z D:z2 P:y D:yz D:z2 D:z2 P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">21 47 25 41 20 46 85 25 41 5 79 50 79 33 19 32 4 1 16 51 85 79 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O O O O W O O O O W O W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.208</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">299</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.29 8.81 4.82 4.65 4.12 3.52 3.00 2.92 2.53 2.44 2.35 2.32 2.17 1.83 1.62 1.56 1.48 1.31 1.28 1.18 1.17 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:x P:x P:y P:x P:z P:z P:x P:y P:y P:y P:x P:x P:x P:y P:z P:y P:y P:y P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">78 87 80 93 71 23 86 71 64 73 93 58 76 65 78 76 58 64 54 87 65 93 23 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.202</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">300</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.68 5.87 5.58 4.48 4.22 3.04 3.03 2.91 2.69 2.09 2.01 1.91 1.61 1.56 1.49 1.45 1.34 1.26 1.21 1.14 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:x P:z P:x P:y P:y P:z P:x P:x P:x P:z P:z P:x P:y P:x P:y P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">64 76 93 73 80 88 76 80 54 77 73 77 54 23 93 86 86 64 88 72 73 65</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">-8.185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">301</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.68 5.31 4.27 2.62 2.39 2.29 2.25 2.24 2.14 2.05 2.04 1.89 1.79 1.70 1.43 1.30 1.28 1.27 1.22 1.14 1.10 1.07 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:z P:x P:x P:x P:z P:z P:y P:z P:y P:x P:z P:z P:y P:y P:z P:x P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">37 84 43 30 21 47 21 39 73 87 47 48 45 53 23 86 73 85 38 46 46 71 95 78</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">-8.147</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">302</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.94 3.23 2.64 2.50 2.48 2.41 2.40 2.25 1.88 1.71 1.69 1.65 1.56 1.52 1.51 1.41 1.39 1.30 1.27 1.18 1.15 1.12 1.11 1.10 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z P:z P:z P:y P:y P:y P:z P:y P:y P:y P:z P:x P:x P:z P:y P:y P:x P:y P:x P:y P:x P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">54 97 67 21 66 60 47 23 73 82 99 60 92 23 74 23 58 99 38 91 65 61 70 77 58 88 86</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">-8.135</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">303</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.74 5.50 4.42 4.35 4.15 4.02 3.83 3.72 3.44 3.30 3.06 2.41 2.16 1.84 1.75 1.70 1.51 1.47 1.44 1.30 1.23 1.20 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:y P:y P:y P:z P:z P:y P:x P:y P:z P:z P:x P:y P:z 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="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">41 84 79 39 43 43 21 47 48 84 39 45 45 37 84 43 37 30 53 79 27 25 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">-8.127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">304</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">5.86 5.34 4.75 4.73 3.53 3.49 3.41 3.21 3.19 3.16 1.89 1.70 1.55 1.45 1.38 1.38 1.37 1.27 1.19 1.16 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:z P:z P:y P:x P:y P:z P:z P:y P:z P:x P:z D:yz P:z P:z P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="21">48 79 21 41 45 37 41 79 85 46 37 30 53 106 42 45 30 47 48 83 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">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">-8.116</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">305</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.57 3.09 2.50 2.27 2.11 2.00 1.79 1.79 1.75 1.55 1.48 1.45 1.35 1.27 1.22 1.18 1.17 1.10 1.08 1.02 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:z P:y P:z P:y P:y P:z P:y P:y P:y P:y P:y P:y P:y P:y P:z P:y P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">47 97 66 67 88 86 21 70 37 45 21 99 43 84 58 70 64 53 76 53 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.078</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">306</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.33 3.82 3.50 3.04 2.63 2.50 2.43 2.41 2.35 2.22 1.81 1.77 1.75 1.71 1.67 1.65 1.61 1.60 1.41 1.21 1.21 1.18 1.12 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:z P:y P:y P:y P:y P:y P:z P:z P:y P:z P:z P:z P:y P:y P:y P:y P:z P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">54 38 23 38 47 73 80 88 65 76 73 76 87 86 77 78 86 77 84 88 23 64 43 71 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.064</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">307</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.34 6.03 5.82 3.10 2.61 2.52 2.50 2.20 2.01 1.78 1.77 1.67 1.64 1.55 1.53 1.52 1.48 1.39 1.37 1.36 1.14 1.10 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:x P:z P:x P:x P:z P:x P:y P:x P:y P:z P:x D:x2-y2 P:z P:z P:z P:y P:z P:z P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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">38 38 38 23 84 21 87 43 54 47 65 54 37 103 86 73 71 78 76 78 47 73 39 71</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">-8.021</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">308</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.46 3.64 3.64 3.61 3.35 3.21 2.97 2.60 2.45 2.42 2.38 2.31 2.23 2.19 2.15 1.90 1.88 1.81 1.77 1.74 1.73 1.56 1.48 1.44 1.41 1.39 1.37 1.37 1.26 1.22 1.19 1.19 1.13 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:y P:y P:x P:z P:y P:z P:y P:x P:z P:y P:z P:y P:x P:y P:y P:y P:z P:z P:z P:y P:x P:x P:z P:x P:y P:z P:y P:y P:y P:x P:z D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">51 41 46 22 33 32 85 30 28 79 27 53 36 31 50 45 25 27 36 48 29 50 52 25 32 47 29 37 44 52 79 28 20 40</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.984</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.60 7.74 5.68 5.35 5.22 3.94 3.68 3.06 2.91 2.87 2.65 2.18 2.06 1.82 1.80 1.74 1.59 1.43 1.35 1.32 1.18 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:x P:x P:y P:y P:z P:z P:y P:z P:y P:z P:y P:x P:y P:z P:z P:y P:y P:z D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="23">92 91 61 96 60 62 60 96 56 62 61 74 82 69 68 69 97 91 66 61 10 81 67</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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.933</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">310</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.42 5.82 4.36 4.13 3.42 3.36 3.17 3.08 2.97 2.77 2.70 2.47 2.37 2.34 2.15 2.11 2.11 2.07 1.89 1.34 1.33 1.32 1.30 1.18 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:x P:x P:x P:x P:y P:z P:y P:y P:y P:y P:z P:z P:z P:y P:z P:x P:z D:xy P:z P:y P:y P:y P:x D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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="26">22 31 52 28 44 40 95 29 27 28 51 29 27 32 52 35 33 20 35 50 34 36 50 5 22 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O W 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">-7.895</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">311</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">17.70 4.63 3.61 3.05 2.93 2.87 2.85 2.80 2.58 2.57 2.43 2.35 2.10 2.02 1.99 1.85 1.57 1.51 1.45 1.38 1.26 1.20 1.17 1.17 1.16 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:x P:x P:y P:z D:yz P:x P:x P:z P:x P:z P:y P:z P:y P:x P:z P:x P:z P:x P:y P:z P:y P:y P:x P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.00 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="27">72 78 69 90 102 87 58 57 74 74 82 72 81 82 56 71 63 70 59 68 49 93 49 81 63 89 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">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">-7.851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">312</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">20.59 5.50 3.26 2.80 2.75 2.20 1.95 1.89 1.76 1.50 1.44 1.31 1.31 1.27 1.23 1.18 1.10 1.08 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:x D:yz P:x P:x P:x P:x P:x P:x P:x D:xy 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="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">98 98 79 100 45 30 39 48 53 41 36 100 46 85 75 42 46 79 83 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O Tc 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">-7.839</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">313</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">5.19 3.81 2.90 2.83 2.58 2.38 2.31 2.28 2.27 2.25 2.15 2.14 2.13 2.04 1.89 1.88 1.84 1.65 1.60 1.59 1.57 1.55 1.46 1.45 1.36 1.34 1.29 1.20 1.19 1.19 1.19 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:z P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:z P:z P:x P:y P:x P:x P:x P:y P:z P:z P:x P:x P:z P:y P:y P:y P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">59 68 98 89 90 69 82 61 92 67 99 56 74 49 66 82 97 64 68 81 91 60 58 49 62 87 60 63 62 58 78 62 61</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">-7.830</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">314</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.54 5.61 4.77 4.13 3.01 2.80 2.27 2.19 2.10 2.07 2.07 1.97 1.82 1.69 1.32 1.28 1.27 1.24 1.22 1.20 1.17 1.17 1.15 1.10 1.09 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:z P:z P:z P:z P:x P:x P:z P:x D:xy P:x P:z P:z P:x P:z P:y P:x P:z P:y P:z P:y P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">72 82 68 72 56 89 49 56 80 23 102 59 69 66 66 86 59 81 73 73 74 97 59 67 91 61 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.783</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">315</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.24 7.25 7.14 5.41 3.35 3.33 3.07 2.95 1.83 1.70 1.68 1.59 1.55 1.52 1.49 1.39 1.19 1.14 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">P:x P:y P:x P:y P:x P:y P:x P:y P:z P:x P:y P:x P:x P:x D:z2 P:y P:x D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">74 81 72 56 57 69 90 74 92 80 89 54 60 63 12 57 97 102 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O W O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.772</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">316</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.89 3.50 3.30 3.04 2.77 2.74 2.43 2.36 2.19 2.16 2.15 2.10 1.94 1.82 1.79 1.63 1.56 1.54 1.49 1.39 1.36 1.29 1.25 1.25 1.24 1.22 1.22 1.19 1.15 1.10 1.10 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:y P:y P:y P:x P:z P:y P:x P:z P:x P:x P:x P:x P:y P:z P:z P:x P:z P:y P:y P:y P:z P:y P:y P:y P:z P:x P:x P:z P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">32 51 33 31 94 50 22 95 52 29 28 35 34 27 44 27 75 83 25 40 36 28 26 42 47 36 26 55 25 24 52 41 29</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">-7.769</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">317</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.08 4.05 3.90 3.53 3.52 3.07 2.89 2.73 2.30 2.28 2.20 2.17 2.12 1.93 1.91 1.89 1.82 1.73 1.71 1.59 1.33 1.30 1.10 1.07 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:z P:z P:x P:x P:x P:y P:y P:y D:yz P:z P:y P:z P:x P:z D:xy P:z P:z P:y D:yz P:x P:x P:y P:y P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">69 57 70 82 72 89 82 68 102 90 90 81 60 89 102 62 59 59 103 62 97 63 57 58 61 91 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O Tc O O O O O Tc O O O Tc O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">318</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">9.33 6.14 5.77 3.45 3.11 2.96 2.91 2.70 2.10 1.99 1.95 1.94 1.87 1.85 1.76 1.75 1.58 1.46 1.43 1.35 1.35 1.29 1.17 1.17 1.15 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z D:z2 P:z D:xy P:z P:y P:x P:x P:z P:x P:y P:x P:y P:y P:z P:x P:z P:y P:z P:y P:x P:z P:x P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">98 100 84 100 34 45 41 42 26 44 83 55 35 98 95 48 39 85 48 46 43 45 95 44 40 46 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O 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</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">319</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.32 4.83 4.73 4.62 4.16 3.46 3.35 3.18 2.78 2.24 1.93 1.89 1.88 1.86 1.78 1.59 1.46 1.44 1.43 1.42 1.25 1.23 1.22 1.10 1.03 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:x P:y P:z P:z P:x P:z P:x P:x P:x P:x P:x P:x P:z D:z2 P:z P:y P:x P:y D:z2 P:x P:x P:y P:z D:xy P:z P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">44 95 34 35 32 95 55 40 51 35 24 26 28 2 55 94 42 40 18 95 33 35 44 4 42 42 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O W O O O O W O O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.692</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">320</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.45 4.26 4.11 3.93 3.51 3.15 2.83 2.71 2.57 2.52 2.48 2.41 2.37 2.18 2.14 2.11 1.65 1.58 1.57 1.46 1.42 1.36 1.31 1.30 1.22 1.21 1.09 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:x P:x P:z P:y D:yz P:z P:y P:z P:z P:y P:x P:y P:z P:z P:y P:x D:z2 P:y P:z D:x2-y2 P:x P:z P:y P:x D:xy P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.00 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">36 98 24 55 101 94 34 75 35 44 27 26 42 26 75 25 100 83 25 100 48 40 95 29 100 32 85 29 36</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 Tc O O Tc O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">321</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.06 6.67 4.96 4.90 3.41 3.11 2.80 2.77 2.73 2.67 2.49 2.19 2.06 2.04 2.01 1.96 1.92 1.92 1.79 1.65 1.46 1.34 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:y P:x P:x P:x D:yz P:y D:z2 P:z P:x P:x P:y P:z P:x P:x P:x P:z P:z P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">98 94 35 40 24 75 100 95 100 95 41 83 40 34 27 44 26 29 55 75 22 42 27 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O Tc O Tc O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">322</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.75 5.21 5.11 5.04 4.63 3.83 3.09 3.09 2.46 1.92 1.89 1.87 1.80 1.78 1.52 1.50 1.46 1.44 1.36 1.31 1.29 1.27 1.23 1.15 1.12 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:z P:y P:x P:y P:x P:z P:x P:x P:x D:xy D:z2 P:x P:z D:yz P:x P:z P:y P:y P:x P:z P:y D:xz P:z D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">63 81 49 90 68 59 63 49 66 67 14 8 99 91 13 87 96 56 99 97 72 76 102 74 10 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O W W O O W O O O O O O O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.576</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="25">8.13 8.02 4.63 3.63 2.94 2.19 1.97 1.95 1.93 1.72 1.69 1.60 1.59 1.56 1.52 1.40 1.39 1.37 1.36 1.25 1.24 1.24 1.17 1.14 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:y P:z P:z P:z P:x P:y P:z P:y P:x P:z P:x P:x P:y D:xz D:z2 P:y P:z P:z P:y P:z P:z D:xy P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">76 80 82 59 68 74 68 90 49 87 81 63 88 102 102 77 81 93 81 72 77 102 64 68 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O Tc Tc O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.516</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="30">3.26 3.18 2.54 2.41 2.37 2.22 2.04 1.94 1.91 1.85 1.78 1.73 1.63 1.50 1.49 1.39 1.36 1.36 1.28 1.28 1.19 1.18 1.13 1.13 1.10 1.10 1.09 1.06 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:x P:x P:z P:y P:y P:z P:x P:y P:x P:y P:y P:z P:x P:z P:z P:z P:x P:z P:x P:x P:y P:z P:y P:y P:z P:z P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">66 97 69 56 82 91 67 96 58 68 49 81 99 57 96 61 63 64 86 54 59 74 63 89 60 23 90 70 92 62</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">-7.503</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="23">7.10 6.84 5.80 5.60 5.28 4.20 3.23 2.37 2.35 2.21 2.15 2.11 2.03 1.95 1.87 1.56 1.47 1.46 1.41 1.25 1.18 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:y P:z P:x P:x P:y P:z P:y P:y P:z P:x P:z P:z P:x P:z P:x D:z2 P:x D:yz P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">75 83 34 94 26 42 42 26 94 35 34 50 95 83 33 31 32 18 44 3 40 4 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.485</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="28">4.33 3.25 2.75 2.45 2.15 2.11 2.02 1.98 1.92 1.91 1.87 1.86 1.75 1.74 1.73 1.71 1.70 1.70 1.62 1.52 1.49 1.31 1.21 1.14 1.12 1.11 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:x P:x D:x2-y2 P:x P:x P:y P:z P:x P:z P:x P:y P:y P:x P:z P:z P:y P:y P:x P:y P:z P:y P:y P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.00 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="28">35 43 41 100 51 98 44 84 37 31 32 95 45 79 24 52 43 85 83 83 79 46 40 28 52 29 75 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">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">-7.449</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="26">4.77 4.30 3.77 3.68 3.66 3.14 2.42 2.25 2.07 2.03 2.00 1.98 1.94 1.87 1.85 1.82 1.78 1.61 1.48 1.41 1.32 1.30 1.14 1.14 1.13 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:y P:y P:z D:xz P:z P:y D:xz P:x D:xy P:y D:xy P:z P:z P:y P:y D:xy P:z P:z P:z P:y D:xy P:y D:xz D:z2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">89 49 57 11 63 59 6 69 6 82 10 91 74 63 68 14 90 81 56 56 11 69 15 8 80 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O O W O W O W O O O O W O O O O W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.388</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="27">3.69 3.05 2.89 2.81 2.78 2.55 2.18 1.96 1.69 1.57 1.43 1.40 1.35 1.34 1.34 1.31 1.25 1.21 1.19 1.15 1.13 1.12 1.08 1.07 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:x P:z P:z P:x P:x P:z P:z P:z P:x P:z D:xz P:z P:z P:x P:z P:z P:x P:x D:z2 D:z2 P:x P:z P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">45 76 48 44 34 21 73 30 21 71 64 101 72 49 23 76 54 33 78 101 100 41 98 56 46 88 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O Tc O O O O O O O Tc Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.369</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="24">10.93 5.68 5.09 5.00 3.13 2.58 2.39 2.27 2.25 2.23 2.23 1.90 1.78 1.75 1.40 1.35 1.33 1.25 1.25 1.07 1.07 1.04 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:y P:x P:x P:x P:y P:x P:y P:z P:y P:x P:x P:y P:z P:x P:y P:z P:z P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">71 73 73 72 77 88 74 87 23 82 71 62 80 81 54 78 97 23 77 68 87 92 80 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.353</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="29">5.16 3.63 3.46 2.79 2.46 2.31 2.00 1.98 1.85 1.67 1.61 1.60 1.55 1.48 1.40 1.38 1.34 1.34 1.33 1.32 1.32 1.28 1.14 1.13 1.11 1.10 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:y P:y P:z P:z P:x P:z D:xz P:z P:z P:x D:xy P:y P:y D:xy P:z P:y D:xy P:x P:z P:y P:z P:y P:y P:y D:xy P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">83 35 55 26 94 24 33 48 1 42 31 37 20 39 53 16 40 35 4 40 22 21 52 37 42 51 1 48 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W O O O W O O W O O W O O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">331</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.69 3.69 2.80 2.14 1.87 1.85 1.79 1.78 1.72 1.66 1.65 1.63 1.58 1.54 1.44 1.44 1.43 1.41 1.34 1.34 1.28 1.26 1.14 1.09 1.07 1.05 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:x P:z P:z P:z P:y D:xz P:x P:y P:z P:x P:y P:y P:y P:x D:xz P:z P:z P:y P:y P:z P:y P:x P:x P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">42 37 50 95 39 75 55 1 85 83 47 48 39 44 34 24 16 35 24 31 95 40 53 46 43 36 83 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W O O O O O O O O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.301</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="20">5.08 4.88 4.82 4.21 4.01 2.71 2.52 2.15 1.94 1.81 1.69 1.67 1.44 1.32 1.25 1.19 1.12 1.10 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:z P:x P:z P:x P:y P:y P:x P:z P:y P:z P:y P:z P:x P:y P:z P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">73 48 80 73 76 37 45 65 98 84 39 79 85 23 86 38 47 54 66 97</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">-7.257</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="24">8.68 7.37 5.61 4.75 3.67 3.40 3.36 2.31 2.17 2.15 2.04 1.85 1.77 1.72 1.62 1.60 1.39 1.37 1.35 1.27 1.23 1.14 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 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:x P:x P:x P:z D:x2-y2 P:z P:z P:y P:x P:z P:z P:x P:z P:z P:z P:x P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 43 98 45 47 37 35 32 100 41 98 42 95 35 46 30 36 34 28 46 84 32 29 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O Tc O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.232</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="29">4.15 3.04 2.97 2.78 2.49 2.27 2.19 2.13 1.99 1.94 1.92 1.76 1.67 1.64 1.51 1.50 1.27 1.26 1.26 1.25 1.17 1.13 1.13 1.09 1.06 1.04 1.03 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">P:y P:z P:z P:x P:y P:z P:x P:z P:y P:x P:z P:y P:x P:z P:z P:y P:y P:x P:x P:z P:x P:z P:z P:x P:z P:y P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">91 58 72 60 67 82 62 71 58 68 66 61 61 49 99 97 64 87 72 44 37 78 96 69 64 40 72 86 102</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.205</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="24">3.43 2.96 2.89 2.67 2.65 2.40 2.37 1.88 1.85 1.80 1.64 1.47 1.36 1.36 1.32 1.29 1.27 1.25 1.24 1.19 1.16 1.14 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:z P:z P:x P:z P:y P:y P:y P:y P:y P:z P:x P:y P:x P:y P:x P:x P:y P:y P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">56 82 71 72 69 44 40 61 37 57 23 22 37 64 21 91 61 94 73 63 68 58 70 76</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">-7.163</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="29">5.49 3.46 3.11 2.97 2.56 2.16 2.13 1.90 1.79 1.67 1.64 1.63 1.62 1.60 1.52 1.52 1.44 1.38 1.36 1.26 1.22 1.19 1.16 1.10 1.07 1.06 1.03 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:y P:z P:y P:x P:x P:z P:x P:z P:x P:y P:x P:y P:x P:y P:z P:z P:x P:z P:z P:z P:z P:z P:x P:y P:y P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">39 49 97 79 48 58 98 99 35 58 34 43 86 51 83 92 60 44 96 39 37 72 51 67 30 66 95 55 84</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">-7.162</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="26">4.76 4.35 3.12 2.32 2.30 2.30 2.25 2.18 1.83 1.80 1.77 1.72 1.66 1.64 1.62 1.50 1.41 1.38 1.34 1.33 1.22 1.21 1.15 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 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:x P:z P:y P:y P:y P:z P:z P:z P:x P:y P:x P:y P:x P:x P:x P:y P:z P:z P:x P:z P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">66 39 79 72 97 51 67 82 58 39 48 58 56 43 98 60 45 71 71 99 68 96 64 92 64 35</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">-7.123</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="33">4.16 3.82 3.67 3.65 3.23 3.13 2.88 2.25 2.08 2.05 1.86 1.84 1.82 1.81 1.78 1.76 1.73 1.67 1.67 1.66 1.58 1.58 1.57 1.56 1.52 1.46 1.45 1.30 1.29 1.25 1.11 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x D:yz P:x P:z D:yz P:x P:x P:z P:y P:z P:x D:xy P:z P:y P:x P:x P:y P:x P:x P:y P:z D:xy P:y P:z P:z P:x P:x P:y P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.00 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 1.00 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="33">67 102 99 61 103 66 70 96 82 91 91 103 99 92 58 96 56 92 74 97 60 102 49 81 97 69 97 68 66 74 69 74 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O Tc O O Tc O O O O O O Tc 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">-7.110</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="28">4.57 3.78 3.75 3.62 2.84 2.84 1.99 1.92 1.83 1.79 1.74 1.71 1.53 1.51 1.48 1.48 1.42 1.41 1.33 1.33 1.30 1.23 1.17 1.16 1.12 1.10 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:y P:y P:x P:y P:x P:x P:y P:y P:y P:y P:z P:x P:y P:x P:y P:z P:z P:x P:y P:z P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">66 63 49 63 97 65 90 81 68 86 37 80 49 76 59 73 90 39 37 59 61 92 53 57 51 74 67 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.094</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">4.82 4.66 4.13 4.00 3.39 3.13 2.92 2.60 2.55 2.17 2.07 1.86 1.68 1.61 1.49 1.34 1.28 1.19 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:z P:z P:y P:y P:x P:z P:y P:z P:z P:y P:y P:y P:x P:x P:y P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">32 25 33 25 27 22 31 52 50 28 92 51 28 29 27 22 56 36 69</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">-7.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.37 3.95 2.81 2.67 2.60 2.54 2.46 2.44 1.99 1.92 1.87 1.69 1.64 1.58 1.56 1.39 1.38 1.23 1.19 1.17 1.13 1.11 1.07 1.03 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:x P:y P:y P:x P:z P:z P:x P:z P:z P:x P:z P:x P:y P:z P:y P:z P:x P:y P:y D:yz P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">92 74 63 56 97 71 72 93 92 68 32 49 62 25 69 51 89 25 74 27 31 57 101 65 33 36 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.054</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="28">4.15 4.07 3.93 2.72 2.50 2.35 2.13 1.74 1.71 1.69 1.56 1.56 1.51 1.44 1.42 1.39 1.36 1.29 1.28 1.25 1.18 1.18 1.16 1.16 1.12 1.10 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:x P:y P:z P:y P:y P:y P:x P:z P:y P:y P:x P:z P:z P:x P:z P:z P:x P:z P:y D:xy P:z P:z P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">94 28 34 30 35 51 37 90 81 31 48 75 56 59 26 69 69 53 22 22 83 101 50 52 82 42 44 28</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 Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.049</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="31">5.48 3.90 3.75 2.80 2.71 2.70 2.69 2.40 2.07 2.04 1.94 1.80 1.64 1.64 1.46 1.44 1.40 1.35 1.34 1.31 1.30 1.29 1.25 1.21 1.19 1.16 1.16 1.12 1.10 1.08 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 D:yz P:x D:yz P:y P:x P:x P:x P:x P:y P:z P:y P:x P:z P:x P:x P:z P:z P:y P:z P:y P:z D:xy P:y P:x P:x P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">22 101 33 100 95 50 52 32 36 34 28 44 51 94 31 25 27 40 52 53 74 83 100 90 40 28 51 31 41 32 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O Tc O Tc 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">-7.019</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.74 3.48 3.24 3.10 2.96 2.48 2.48 2.33 2.28 2.28 2.25 2.23 2.21 2.19 2.19 2.16 1.87 1.83 1.57 1.55 1.50 1.28 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:z P:z P:y P:x P:y P:z P:z P:y P:z P:x P:x P:x P:x P:z P:x P:y P:x P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">75 35 26 44 40 81 90 30 83 83 42 95 69 56 26 35 40 53 75 24 69 86 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.995</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="20">4.74 3.96 3.40 2.92 2.66 2.48 2.38 2.38 2.05 1.98 1.96 1.44 1.43 1.38 1.36 1.32 1.18 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 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:y P:z P:y P:x P:x P:x P:x P:y P:x P:z P:x P:x P:x P:y P:y P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">44 74 32 51 56 72 78 95 40 61 42 28 81 29 71 61 55 83 34 70</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">-6.987</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="26">6.90 6.56 5.41 3.49 2.98 2.64 2.55 2.39 2.33 2.22 1.97 1.96 1.90 1.79 1.60 1.49 1.44 1.22 1.17 1.17 1.14 1.11 1.07 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:z P:z P:x P:x P:z P:x P:x P:y P:x P:y P:y P:y P:z P:y P:z P:y P:y P:x P:x D:xy P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">68 81 59 82 61 60 49 59 70 91 80 90 93 73 91 71 58 68 96 97 58 102 44 76 99 66</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 Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.969</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">347</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.96 3.04 2.76 2.45 2.37 2.35 2.34 2.28 2.15 2.14 1.95 1.83 1.77 1.75 1.67 1.62 1.62 1.37 1.33 1.27 1.22 1.19 1.19 1.09 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:y P:x P:x P:z P:z P:x P:z P:x P:x P:x P:x P:x P:y P:y P:z P:z P:x P:y P:z P:x P:z P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">70 74 86 58 63 49 65 60 56 34 76 80 78 60 49 74 82 73 22 62 95 42 72 23 67 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.919</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="29">4.91 3.93 3.55 3.04 3.01 2.75 2.55 2.10 1.94 1.89 1.86 1.85 1.72 1.68 1.48 1.38 1.37 1.36 1.35 1.35 1.27 1.26 1.19 1.14 1.10 1.09 1.08 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:z P:z P:z P:y P:x P:x P:z P:z P:y P:z P:x P:z P:z P:y P:z P:z P:y P:z P:x P:z P:z P:x P:z P:x P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">60 66 54 80 58 69 68 76 78 63 57 58 58 64 90 71 70 77 81 63 88 99 34 44 81 62 22 56 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.899</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="28">5.52 5.26 3.06 2.69 2.55 2.36 2.26 1.93 1.75 1.73 1.67 1.64 1.57 1.49 1.47 1.45 1.44 1.42 1.40 1.34 1.32 1.26 1.24 1.17 1.14 1.13 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:x P:x P:z P:x P:x P:x P:x P:y P:z P:y P:z P:x P:z P:y P:z P:y P:y P:z P:x P:y P:x P:z P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">95 40 47 36 42 25 41 45 48 51 83 37 40 28 84 38 28 45 27 29 39 29 79 27 33 56 97 81</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">-6.893</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="28">3.66 3.46 2.60 2.55 2.49 2.42 2.07 1.70 1.61 1.60 1.58 1.47 1.46 1.45 1.38 1.33 1.26 1.25 1.23 1.23 1.21 1.19 1.16 1.15 1.10 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:x P:y P:x P:x P:x P:x P:y P:z P:y P:x P:x P:z P:z P:y P:y P:x P:x P:y P:y P:x P:y P:x P:z P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">44 81 97 56 94 36 79 23 27 87 35 34 69 48 38 83 25 21 31 93 45 76 48 26 60 72 44 42</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">-6.868</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="28">6.44 2.84 2.49 2.34 2.32 2.14 1.84 1.58 1.57 1.54 1.50 1.46 1.41 1.40 1.38 1.36 1.35 1.32 1.28 1.24 1.23 1.22 1.21 1.18 1.17 1.12 1.11 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:x P:y P:z P:y P:z P:z P:z P:z P:y P:x P:z P:x P:z P:y P:y P:z P:z P:x P:z P:y P:y P:z P:z P:y P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">27 75 94 25 43 25 26 32 87 29 24 36 31 27 52 48 47 86 49 84 58 78 38 23 60 58 45 37</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">-6.840</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="24">4.41 3.64 3.30 3.27 2.72 2.56 2.37 2.32 2.28 2.23 1.91 1.81 1.80 1.72 1.72 1.65 1.54 1.38 1.32 1.26 1.12 1.10 1.09 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:y P:x P:y P:y P:y P:x P:y P:z P:x P:z P:z P:z P:z P:y P:x P:z P:y P:y P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">49 63 86 45 51 97 95 76 48 65 32 66 79 80 34 63 65 83 86 84 30 98 83 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.808</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="30">5.91 5.82 5.48 4.70 3.94 3.86 3.84 3.20 3.16 3.12 3.02 2.99 2.98 2.82 2.66 2.02 1.83 1.62 1.61 1.50 1.48 1.35 1.32 1.28 1.19 1.19 1.16 1.10 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 P:z P:y P:z P:x P:x P:x P:y P:z P:y P:z P:x P:y P:y P:z P:z P:x P:y P:y P:z P:y P:y P:z P:x P:y P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">67 99 77 88 88 77 96 87 78 91 91 54 96 88 77 23 23 56 68 96 23 82 69 91 49 54 81 97 74 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.784</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="23">4.66 4.04 3.83 2.66 2.34 2.29 2.26 2.24 2.23 2.23 2.14 2.14 1.95 1.87 1.67 1.54 1.49 1.32 1.26 1.19 1.18 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:x P:z P:x P:x P:y P:y P:x P:z P:x P:y P:z P:z P:z P:x P:y P:y P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">65 34 94 92 27 93 93 97 77 38 38 84 81 30 43 25 63 53 56 38 63 92 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.779</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">3.96 3.61 3.35 3.08 2.77 2.72 2.66 2.53 2.42 2.17 2.17 2.10 2.04 2.02 1.85 1.71 1.59 1.55 1.55 1.48 1.28 1.16 1.15 1.13 1.13 1.08 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:y P:y P:z P:y P:x P:z P:x P:x P:z P:z P:z P:y P:x P:y P:x P:z P:y P:z P:z P:z P:z P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">81 88 86 93 66 61 93 92 61 86 78 49 80 92 94 68 34 64 97 81 54 69 72 49 77 68 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.89 4.62 3.76 3.40 3.28 3.18 2.89 2.71 2.65 2.48 2.48 2.18 2.08 2.07 2.03 1.96 1.80 1.70 1.65 1.48 1.44 1.42 1.33 1.29 1.11 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:x P:y P:z P:z P:x P:y P:z P:y P:y P:z P:y P:x P:z P:x P:x P:z P:y P:z P:x 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">77 91 96 64 88 62 62 77 92 88 67 96 99 70 62 60 88 66 65 93 60 90 69 82 61 90 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.758</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="27">4.73 3.68 3.48 3.29 3.22 3.15 3.01 2.99 2.63 2.47 2.44 2.42 2.41 2.32 1.95 1.95 1.79 1.78 1.60 1.38 1.31 1.26 1.23 1.17 1.17 1.06 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:x P:y P:y P:z P:z P:z P:z P:y P:z P:y P:y P:y P:z P:x P:z P:y P:x P:x P:y P:x P:y P:y P:y P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">43 85 51 32 46 31 79 31 35 46 95 41 85 52 84 52 84 51 43 34 38 33 42 83 40 24 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.733</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="32">7.00 6.88 3.50 3.26 3.07 2.75 2.68 2.65 2.48 2.48 2.44 2.20 2.12 2.11 2.09 2.08 2.06 1.93 1.79 1.67 1.61 1.44 1.43 1.37 1.32 1.31 1.24 1.20 1.17 1.15 1.12 1.10</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:x P:z P:y P:y P:y P:x P:z P:y P:x P:z P:x P:y P:y P:x P:z P:y P:y P:y P:y P:z P:y P:x P:z P:z P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">85 46 50 22 21 47 33 28 21 40 44 51 28 94 52 84 40 47 32 30 31 34 85 30 22 48 79 52 44 53 95 83</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">-6.696</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="31">5.45 4.40 4.03 3.83 3.56 3.48 3.22 3.20 3.14 2.79 2.70 2.43 2.31 2.31 2.17 2.01 2.01 1.88 1.84 1.70 1.37 1.30 1.28 1.26 1.25 1.16 1.11 1.08 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:y P:z P:y P:x P:x P:x P:y P:z P:x P:z P:z P:z P:y P:y P:x P:x P:y P:z P:x P:y P:y P:x P:y P:y P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">31 46 85 52 33 29 36 85 29 50 41 46 30 29 46 51 52 79 53 85 50 75 22 53 36 25 32 28 26 28 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.663</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="22">6.28 6.04 5.57 5.41 5.07 4.93 4.11 3.85 3.54 3.05 2.90 2.89 2.83 2.61 2.06 1.97 1.59 1.52 1.48 1.39 1.32 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:x P:x P:y P:z P:y P:z P:z P:z P:y P:y P:z P:z P:x P:y P:z P:x P:y P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">67 62 88 86 78 64 70 65 99 87 70 88 93 77 91 77 93 74 64 54 71 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.646</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="25">6.36 6.21 5.57 4.13 4.09 4.01 3.79 3.57 3.47 3.38 2.30 1.75 1.73 1.69 1.61 1.50 1.48 1.42 1.42 1.35 1.21 1.19 1.16 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:z P:z P:z P:y P:y P:z P:x P:z P:y P:y P:z P:z P:y P:x P:z P:y P:y P:x P:z P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">64 62 70 65 93 70 86 78 65 60 60 23 23 99 96 58 77 57 97 88 61 23 62 76 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.640</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="26">9.25 7.05 6.67 6.05 4.62 4.12 3.80 3.54 3.47 2.63 2.52 2.13 2.07 2.05 2.01 1.66 1.65 1.55 1.28 1.21 1.16 1.13 1.12 1.10 1.04 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:y P:x P:y P:y P:x P:x P:z P:z P:z P:x P:z P:y P:y P:z P:y P:y P:x P:y P:z P:x P:z P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">99 87 77 67 91 88 96 96 77 88 54 91 96 23 93 99 86 76 54 49 86 81 88 66 78 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.627</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="27">4.88 4.66 4.45 4.42 4.38 4.34 3.55 3.08 2.51 2.41 1.95 1.88 1.82 1.82 1.76 1.71 1.70 1.55 1.52 1.42 1.34 1.28 1.28 1.27 1.15 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:x P:y P:y P:z P:x P:y P:x P:y P:z P:z P:x P:x P:z P:y P:z P:z P:y P:x P:z P:y P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">78 23 60 67 87 54 29 30 54 60 58 93 62 53 99 64 53 60 58 78 91 53 91 81 85 65 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">364</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.42 6.61 6.54 5.90 4.76 4.04 3.70 3.53 2.90 2.65 2.28 1.98 1.80 1.59 1.58 1.43 1.19 1.17 1.13 1.12 1.09 1.03 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:x P:y P:z P:z P:y P:x P:y P:z P:x P:y P:z P:x P:x P:x P:x P:x P:y P:y P:z P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">34 30 94 38 38 49 53 86 63 94 65 45 48 56 21 53 28 47 37 94 53 54 54 40 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.611</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="32">6.54 4.71 4.50 4.46 3.42 3.15 2.63 2.59 2.51 2.47 2.39 2.09 1.59 1.58 1.52 1.49 1.39 1.36 1.36 1.34 1.27 1.24 1.24 1.20 1.18 1.16 1.13 1.08 1.07 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:x P:y P:x P:x P:y P:z P:x P:y P:y P:z P:z P:z P:y P:x P:z P:z P:x P:z P:z P:z P:y P:x P:y P:z P:z P:y P:z P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">29 30 46 85 41 53 53 33 31 50 79 36 36 43 52 44 37 46 70 39 23 60 86 85 30 87 54 52 53 22 40 70</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">-6.579</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="29">7.02 6.77 6.10 4.74 4.46 3.38 3.16 2.61 2.44 2.41 2.25 2.21 2.15 2.14 1.94 1.73 1.63 1.60 1.43 1.34 1.30 1.28 1.27 1.22 1.10 1.06 1.05 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:x P:z P:y P:y P:y P:y P:z P:y P:z P:z P:z P:y P:x P:x P:x P:y P:z P:x P:x P: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="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">29 53 41 21 30 36 36 25 25 32 79 24 43 94 25 29 27 79 45 55 46 47 31 33 27 43 95 34 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">-6.574</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">367</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.50 7.58 5.73 5.58 4.63 4.33 3.47 3.29 3.25 2.89 2.72 2.66 2.39 2.12 1.90 1.89 1.84 1.81 1.65 1.30 1.21 1.14 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:x P:z P:z P:x P:y P:y P:z P:x P:z P:x P:y P:x P:y P:z P:y P:y P:y P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">50 33 85 47 85 46 21 31 52 34 46 52 30 48 84 84 52 85 51 79 79 44 84 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.562</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="21">11.02 9.63 6.44 6.11 5.26 4.50 3.61 3.44 3.36 2.50 2.21 2.08 1.79 1.54 1.43 1.38 1.37 1.14 1.13 1.12 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:z P:y P:y P:y P:z P:x P:z P:z P:y P:y P:x P:z P:x P:y P:z P:y P:z P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">47 21 33 84 43 27 50 25 25 27 43 31 94 52 53 31 27 46 29 30 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">-6.556</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="33">6.39 5.00 4.31 4.17 3.43 3.03 2.85 2.83 2.80 2.78 2.56 2.46 2.44 2.36 2.29 2.29 2.13 2.02 2.01 1.73 1.64 1.62 1.51 1.43 1.42 1.42 1.38 1.35 1.23 1.18 1.02 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">P:x P:z P:x P:y P:z P:x P:y P:z P:x P:x P:z P:y P:z P:z P:y P:x P:y P:y P:z P:z P:z P:x P:x P:x P:y P:z P:x P:y P:y P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">76 73 80 73 54 65 71 71 69 56 66 23 99 23 97 81 67 91 76 96 82 86 68 74 54 69 96 74 96 78 49 63 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">370</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">6.85 6.38 5.53 4.82 4.49 4.07 3.60 3.60 3.32 2.95 2.67 2.13 2.10 2.09 1.93 1.84 1.75 1.69 1.61 1.59 1.53 1.52 1.49 1.33 1.31 1.27 1.26 1.21 1.18 1.14</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:y P:x P:z P:y P:x P:x P:y P:y P:x P:x P:z P:y P:x P:z P:z P:z P:z P:x P:y P:z P:y P:x P:x P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">70 62 70 71 58 73 80 60 86 58 88 77 73 71 56 91 82 65 80 81 64 93 91 76 87 87 68 92 72 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.506</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="34">5.28 5.11 4.59 3.80 3.39 3.36 3.03 2.68 2.50 2.47 2.08 2.04 2.03 2.00 1.93 1.73 1.70 1.66 1.64 1.45 1.44 1.38 1.30 1.28 1.27 1.25 1.20 1.19 1.18 1.09 1.07 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:x P:x P:y P:x P:x P:z P:x P:z P:x P:z P:x P:x P:y P:x P:x P:z P:z P:x P:z P:z P:x P:y P:y P:z P:x P:x P:y P:z P:z P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">66 97 58 23 59 86 54 99 62 70 89 90 65 62 77 67 60 92 88 63 57 74 60 56 73 68 96 64 69 59 67 93 91 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.495</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="35">7.73 4.51 4.20 3.81 3.03 2.11 1.92 1.88 1.87 1.84 1.84 1.82 1.78 1.70 1.57 1.56 1.54 1.54 1.42 1.35 1.31 1.28 1.27 1.21 1.20 1.18 1.18 1.16 1.12 1.10 1.10 1.07 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:x P:x P:x P:x P:x P:z P:y P:y P:x P:y P:z P:y P:x P:z P:x P:z P:z P:z P:y P:y P:z P:x P:x P:y P:x P:z P:y P:x P:x P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">62 70 58 60 69 54 78 49 87 97 64 66 97 56 88 90 63 74 77 82 57 61 74 81 77 93 99 54 67 63 93 23 96 67 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.492</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">4.67 3.95 3.92 3.80 3.63 3.10 2.71 2.71 2.62 2.59 2.35 2.31 2.29 2.11 1.90 1.87 1.77 1.48 1.32 1.32 1.31 1.26 1.23 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 P:z P:z P:z P:x P:z P:z P:z P:y P:x P:x P:y P:z P:z P:x P:x P:y P:x P:y P:x P:y P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">45 39 98 50 79 37 43 42 31 41 48 37 45 32 94 34 33 47 39 83 40 40 83 98 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.478</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="27">5.97 5.72 4.99 4.89 4.16 3.74 3.40 2.74 2.15 2.09 2.07 1.93 1.89 1.80 1.66 1.54 1.54 1.51 1.40 1.37 1.35 1.25 1.24 1.17 1.08 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:y P:x P:y P:z P:z P:z P:z P:x P:z P:x P:z P:z P:y P:y P:x P:x P:x P:y P:z P:y P:x P:y P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">78 90 87 57 59 93 98 64 65 89 89 54 82 93 67 59 86 57 64 80 74 90 92 99 56 79 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.472</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="24">11.78 5.77 5.42 5.04 4.24 3.63 3.50 2.97 2.58 2.18 2.15 1.80 1.60 1.58 1.47 1.42 1.38 1.31 1.26 1.25 1.21 1.18 1.10 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:y P:x P:y P:y P:x P:y P:y P:x P:x P:y P:z P:z P:x P:y P:x P:z P:y P:x P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">98 39 84 95 33 51 48 98 37 27 29 95 84 44 34 43 79 42 90 35 30 79 47 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.461</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="33">6.13 4.52 4.09 3.78 3.53 3.18 2.69 2.68 2.64 2.50 2.42 2.32 2.20 2.17 2.10 2.10 1.81 1.77 1.73 1.71 1.69 1.59 1.59 1.56 1.45 1.31 1.28 1.25 1.20 1.15 1.12 1.08 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:z P:z P:y P:z P:z P:z P:z P:y P:x P:x P:y P:z P:z P:x P:x P:y P:y P:x P:x P:x P:z P:z P:y P:y P:y 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">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">59 87 93 90 64 59 60 64 92 61 86 59 90 82 61 89 90 93 92 60 78 65 81 89 60 62 56 81 62 76 99 91 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.443</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="24">10.67 9.69 6.52 6.16 5.84 4.28 4.05 3.65 2.63 2.60 2.43 1.92 1.82 1.81 1.66 1.56 1.51 1.47 1.41 1.36 1.31 1.25 1.16 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:y P:z P:y P:z P:z P:x P:x P:x P:z P:x P:y P:x P:x P:x P:y P:z P:x P:x P:y P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">36 36 79 41 42 98 41 98 37 39 36 98 79 35 34 22 48 29 42 79 28 41 94 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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.429</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">378</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="39">4.74 3.42 3.41 3.40 3.04 2.93 2.92 2.35 2.34 2.22 2.14 2.13 2.11 1.95 1.91 1.85 1.79 1.77 1.74 1.68 1.64 1.62 1.61 1.50 1.43 1.39 1.36 1.32 1.30 1.29 1.24 1.22 1.11 1.08 1.07 1.04 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="39">P:z P:y P:z P:x P:y P:z P:y P:y P:y P:z P:z P:y P:z P:y P:y P:x P:x P:z P:z P:x P:z P:x P:z P:x P:x P:z P:y P:y P:y P:y P:z P:y P:z P:z P:y P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="39">98 42 43 41 41 35 21 55 27 27 25 95 47 84 36 46 32 36 24 85 42 95 79 98 51 83 25 44 98 34 22 28 31 26 31 94 30 40 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.425</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="22">7.93 6.84 5.96 5.62 4.02 3.80 2.95 2.82 2.75 2.19 2.06 1.82 1.74 1.62 1.54 1.43 1.36 1.29 1.19 1.16 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:z P:y P:z P:z P:y P:y P:x P:x P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">57 89 56 59 82 90 74 69 57 78 72 75 92 96 49 61 68 21 26 69 89 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.418</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="24">5.33 5.18 4.78 3.91 3.63 3.42 3.41 3.13 2.89 2.39 2.37 2.27 1.82 1.78 1.73 1.71 1.56 1.49 1.34 1.25 1.16 1.14 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:x P:z P:x P:x P:x P:z P:y P:y P:x P:y P:x P:y P:z P:z P:y P:y P:y P:y P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 26 21 55 41 26 47 30 57 24 55 30 79 89 53 84 59 45 56 53 46 50 84 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.416</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">381</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.80 4.59 3.48 3.19 3.11 2.42 2.27 2.21 2.20 2.18 1.98 1.71 1.64 1.60 1.58 1.55 1.53 1.51 1.50 1.47 1.31 1.30 1.13 1.12 1.08 1.07 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:x P:x P:x P:x P:x P:x P:z P:y P:x P:x P:z P:x P:z P:z P:z P:z P:z P:x P:z P:y P:x P:x P:x P:y P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">25 29 36 51 27 32 89 24 95 75 55 87 98 84 29 36 32 33 22 44 52 83 78 57 50 31 89 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.409</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="23">8.04 5.23 4.81 3.84 3.19 3.18 2.84 2.84 2.71 2.15 1.97 1.92 1.43 1.41 1.36 1.31 1.24 1.20 1.20 1.13 1.12 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:x P:x P:x P:x P:z P:z P:z P:x P:x P:z P:y P:z P:x P:y P:z P:x P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">89 57 87 78 57 89 90 23 54 90 67 57 90 59 25 23 69 36 92 61 55 73 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.390</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">383</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">4.60 4.57 4.37 4.12 3.98 3.30 3.24 3.05 2.89 2.86 2.79 2.48 2.45 2.33 2.12 2.00 1.79 1.75 1.75 1.74 1.66 1.63 1.57 1.54 1.54 1.51 1.46 1.40 1.30 1.14 1.08 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:z P:x P:z P:x P:z P:y P:x P:x P:z P:z P:z P:y P:z P:y P:z P:x P:z P:y P:y P:x P:x P:y P:x P:x P:y P:z P:z P:z P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">75 26 75 47 53 41 27 24 75 79 22 30 28 53 26 31 94 27 52 33 30 21 55 28 26 24 27 50 29 48 95 43 29 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.381</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="28">9.29 8.55 6.02 5.05 4.87 4.67 4.43 4.20 3.45 3.20 2.82 2.38 2.07 1.98 1.82 1.80 1.69 1.60 1.58 1.47 1.46 1.38 1.36 1.33 1.20 1.19 1.12 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">P:z P:y P:x P:y P:z P:y P:x P:z P:x P:x P:x P:z P:z P:x P:y P:y P:y P:x P:z P:z P:z P:x P:z P:y P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">89 57 89 76 59 90 87 80 78 59 57 54 64 80 23 73 71 90 73 23 93 86 99 64 71 23 76 65</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">-6.342</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">385</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">9.75 8.50 7.51 6.72 6.37 3.26 3.08 2.50 2.22 2.13 2.08 2.03 1.94 1.79 1.69 1.62 1.59 1.40 1.35 1.29 1.26 1.25 1.24 1.24 1.22 1.21 1.11 1.07 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:y P:x P:x P:x P:z P:x P:y P:x P:x P:z P:x P:x P:z P:x P:x P:y P:y P:y P:x P:y P:z P:x P:z P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">55 21 24 55 47 26 84 24 26 51 25 26 32 75 36 37 33 84 52 55 41 43 30 50 43 36 31 75 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.320</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="20">8.45 7.62 7.52 6.69 6.64 5.50 5.14 4.32 3.12 2.46 2.23 2.22 2.12 2.03 1.69 1.58 1.44 1.31 1.29 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:z P:z P:z P:y P:z P:x P:z P:x P:y P:x P:z P:x P:y P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">55 26 95 75 24 35 44 40 35 55 24 24 75 22 40 28 52 34 31 94</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">-6.303</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="19">18.44 8.75 6.58 6.43 4.88 4.05 3.87 3.40 3.34 2.97 2.90 2.66 2.02 2.02 1.83 1.74 1.47 1.37 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:z P:y P:x P:y P:x P:z P:z P:z P:x P:x P:y P:x P:y P:x P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">24 55 75 47 45 55 48 26 43 24 21 37 48 39 26 37 75 84 39</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">-6.281</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="15">30.90 9.35 6.97 5.17 3.78 3.36 2.56 2.22 1.89 1.63 1.63 1.35 1.24 1.16 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:z P:x P:y P:x P:y P:z P:z P:y P:z P:y P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">72 68 72 72 68 82 64 64 63 57 96 97 67 81 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.254</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="23">11.03 9.47 8.21 4.84 3.69 3.58 3.43 3.08 3.08 2.56 2.56 2.28 2.19 1.98 1.98 1.91 1.52 1.52 1.47 1.41 1.39 1.22 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:z P:x P:x P:x P:y P:y P:z P:z P:y P:x P:y P:x P:x P:y P:x P:z P:z P:z P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">49 63 66 97 69 82 91 96 74 97 81 56 99 56 68 68 64 69 91 90 92 81 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.191</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">390</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">11.09 9.95 8.03 4.79 3.63 3.23 3.05 3.04 2.82 2.36 2.27 2.25 2.17 2.09 1.82 1.81 1.81 1.57 1.43 1.39 1.33 1.21 1.17 1.16 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:x P:z P:y P:y P:x P:y P:x P:x P:z P:y P:z P:x P:y P:y P:y P:z P:y P:z P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">42 83 32 51 52 31 34 35 51 95 94 40 44 94 50 75 95 26 75 22 31 30 26 33 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.150</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="25">7.52 6.41 5.81 5.73 5.03 4.87 4.82 4.38 4.36 4.18 4.07 2.84 2.47 2.03 1.96 1.90 1.80 1.76 1.50 1.34 1.34 1.29 1.24 1.19 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:z P:x P:x P:y P:z P:z P:z P:z P:y P:x P:x P:z P:x P:y P:z P:z P:y P:z P:y P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">67 97 72 99 66 92 61 91 96 74 91 72 68 81 69 96 82 92 82 63 97 49 58 81 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.114</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="30">8.75 6.65 6.42 5.96 5.90 5.05 4.45 3.45 3.42 2.85 2.76 2.67 2.61 2.32 2.22 2.17 2.14 1.87 1.79 1.62 1.54 1.53 1.50 1.43 1.38 1.27 1.10 1.10 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">P:y P:x P:y P:z P:z P:z P:x P:x P:z P:y P:z P:x P:y P:z P:y P:x P:x P:y P:x P:x P:y P:y P:x P:y P:z P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">82 99 68 61 74 96 66 67 81 81 68 97 56 91 92 81 92 74 96 91 96 91 61 49 67 56 69 69 92 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.093</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">8.38 8.06 6.57 6.40 6.27 6.07 5.51 4.09 3.91 3.72 2.54 2.06 1.88 1.67 1.66 1.63 1.54 1.52 1.48 1.30 1.15 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:x P:x P:z P:y P:x P:x P:z P:z P:y P:z P:y P:y P:z P:y P:y P:y P:x P:z P:x P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">50 33 28 22 32 51 52 40 31 31 44 52 22 51 42 34 94 83 35 95 33 94 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.039</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="31">7.79 6.70 6.38 5.99 5.14 4.63 4.19 3.96 3.75 3.54 2.95 2.76 2.65 2.49 2.26 2.23 2.21 2.01 1.90 1.80 1.70 1.62 1.44 1.41 1.37 1.30 1.28 1.24 1.17 1.17 1.15</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:x P:y P:z P:x P:x P:z P:z P:x P:z P:y P:y P:x P:x P:z P:y P:x P:x P:y P:x P:y P:z P:y P:z P:z P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">44 40 50 34 28 33 32 52 94 51 34 94 22 22 94 31 95 31 52 31 28 40 95 42 33 22 35 35 35 83 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.014</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">395</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">13.90 11.30 5.71 5.18 4.77 4.19 4.15 3.69 3.14 2.92 2.64 2.52 2.36 2.34 2.21 2.05 2.00 1.97 1.87 1.78 1.58 1.58 1.56 1.27 1.23 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:y P:z P:y P:z P:z P:z P:x P:y P:y P:x P:z P:y P:z P:x P:x P:z P:y P:x P:y P:z P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">70 58 68 81 82 62 60 74 74 49 56 60 69 62 90 63 59 63 60 81 59 70 82 90 49 68 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.936</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="20">8.92 8.28 8.11 6.58 5.15 4.80 4.69 4.55 4.42 4.15 3.93 3.13 3.06 3.06 2.89 2.61 1.79 1.70 1.41 1.28</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:y P:z P:z P:x P:y P:x P:z P:x P:y P:z P:z P:y P:y P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">60 57 90 90 62 70 89 58 59 62 57 58 60 62 59 57 89 70 67 60</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">-5.929</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">397</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.91 11.60 5.98 5.90 5.36 4.97 4.12 3.65 3.04 3.04 1.74 1.68 1.63 1.54 1.43 1.41 1.41 1.35 1.29 1.25 1.24 1.21 1.14 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:z P:x P:x P:z P:z P:z P:y P:y P:x P:x P:z P:y P:x P:y P:x P:x P:x P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">59 89 90 99 67 57 92 61 61 92 90 57 91 96 66 99 36 97 25 58 59 62 60 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.928</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="27">12.11 10.95 5.27 4.58 4.19 3.75 3.40 2.77 2.46 2.42 2.25 2.18 2.16 2.06 2.05 2.02 1.95 1.90 1.71 1.61 1.56 1.50 1.39 1.34 1.18 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:y P:z P:y P:z P:z P:z P:x P:y P:y P:z P:y P:y P:y P:x P:z P:x P:y P:x P:z P:x P:x P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">36 25 34 94 44 29 27 40 40 95 29 75 42 89 59 27 35 26 27 83 36 94 44 83 26 75 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">-5.847</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="17">12.75 10.05 8.64 6.60 6.24 5.23 5.15 4.80 4.48 3.72 3.23 3.11 2.08 2.08 1.81 1.76 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:x P:z P:z P:y P:x P:x P:z P:x P:z P:z P:y P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">55 26 27 29 26 75 25 36 27 29 24 55 29 24 75 25 25</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">-5.833</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="22">9.26 8.54 8.06 6.78 6.00 5.53 5.40 5.39 4.97 4.48 4.43 3.25 2.85 1.95 1.93 1.93 1.86 1.61 1.32 1.29 1.19 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:z P:y P:z P:x P:x P:x P:y P:z P:x P:x P:z P:z P:y P:y P:z P:y P:x P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">82 74 68 61 66 97 99 92 81 67 81 96 91 49 91 63 96 68 69 56 92 97</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">-5.831</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="25">12.62 11.58 8.30 6.34 4.33 3.53 3.47 3.13 3.00 2.85 2.82 2.80 2.73 2.50 2.18 2.09 1.83 1.80 1.74 1.67 1.59 1.42 1.36 1.22 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:z P:z P:y P:y P:x P:x P:z P:y P:x P:x P:x P:z P:y P:y P:x P:z P:y P:y P:y P:y P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">75 24 26 55 33 24 22 28 75 50 51 31 75 52 32 28 24 22 34 29 25 50 27 32 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.761</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="22">8.59 8.38 8.37 8.01 7.57 7.03 6.72 4.55 4.55 4.42 3.81 2.40 2.38 2.18 2.08 1.80 1.71 1.65 1.48 1.45 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:x P:y P:x P:y P:z P:x P:x P:x P:z P:y P:z P:z P:z P:y P:x P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">28 40 44 50 22 33 34 94 32 94 51 52 42 22 83 31 31 34 95 35 52 28</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">-5.669</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="27">8.25 8.00 6.98 6.14 5.67 5.07 4.86 4.57 4.40 3.05 2.59 2.39 2.34 2.30 2.23 2.19 2.08 2.02 1.84 1.79 1.70 1.63 1.51 1.43 1.41 1.19 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:y P:z P:x P:z P:z P:x P:y P:z P:x P:y P:x P:y P:z P:z P:x P:z P:z P:y P:y P:y P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">89 58 59 57 70 90 62 60 90 59 99 82 62 62 58 60 67 61 74 92 68 57 66 81 57 97 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.577</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">404</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.93 7.15 6.98 6.32 5.96 5.68 4.90 4.59 4.13 3.30 2.45 2.42 2.40 2.39 2.34 2.33 2.00 1.98 1.90 1.88 1.81 1.51 1.43 1.24 1.22 1.16 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:y P:z P:x P:z P:x P:z P:y P:z P:x P:x P:z P:y P:x P:z P:z P:z P:y P:y P:y P:x P:y P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">55 25 26 24 36 75 27 29 75 26 33 29 28 29 50 27 40 25 44 22 34 24 24 94 32 55 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">-4.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">405</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">27.69 21.00 9.38 7.43 4.33 3.50 3.05 2.16 1.91 1.77 1.20 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:x2-y2 D:yz D:xy P:y P:x D:xz P:x P:z P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 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="12">100 100 100 83 35 100 79 35 35 83 42 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc 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">-4.209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">406</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">38.69 12.85 9.58 6.15 5.55 5.21 2.78 2.45 2.45 1.55 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:z2 D:xy P:z P:z D:xz P:x P:y P:x P:x D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">100 100 98 42 100 95 98 98 41 100 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc O O Tc O O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.946</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="17">29.73 13.77 7.57 3.84 3.37 2.59 2.58 2.54 2.40 2.29 1.97 1.89 1.55 1.52 1.41 1.31 1.14</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:xy D:x2-y2 P:x P:y D:xy P:z D:z2 P:y P:z D:xz P:z P:x D:z2 D:xz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.00 1.33 1.33 0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">100 100 100 36 95 4 35 100 42 27 19 83 35 2 100 27 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc Tc O O W O Tc O O W O O W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.901</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">408</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">17.95 15.03 12.06 6.43 4.51 3.58 3.38 2.87 2.74 2.11 1.85 1.68 1.52 1.49 1.39 1.22 1.19 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xy D:z2 D:xy D:xz D:yz D:z2 D:xz D:x2-y2 P:y P:y P:x P:x P:z D:yz P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 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="18">103 103 101 103 103 101 101 103 63 38 69 56 49 101 40 69 94 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc Tc Tc Tc Tc Tc 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">-3.748</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">409</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">26.58 14.01 6.66 3.53 3.32 3.05 2.40 2.31 2.22 2.19 1.89 1.57 1.50 1.46 1.23 1.21 1.19 1.15 1.14 1.13 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:xy D:x2-y2 D:xy P:x D:xz P:z D:xz P:y D:z2 D:xz P:y P:z D:yz D:z2 P:x D:yz D:xy P:y D:x2-y2 D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 1.00 1.00 0.80 1.33 1.00 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.00 1.00 1.33 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">103 103 103 14 70 103 60 9 56 12 11 49 69 102 103 60 7 6 60 7 6 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc Tc Tc W O Tc O W O W W O O Tc Tc O W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.531</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">410</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">20.03 13.36 9.53 6.94 5.40 4.45 3.48 3.37 2.19 1.90 1.72 1.66 1.64 1.26 1.26</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:x2-y2 D:z2 D:xz D:z2 D:xy D:yz D:x2-y2 D:yz P:z P:z P:x P:x D:xz P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.33 1.33 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">103 103 101 101 101 103 101 101 44 49 34 56 14 86 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc Tc Tc Tc Tc O O O O W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">411</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">32.93 18.28 15.61 3.17 3.08 2.14 1.93 1.56 1.53 1.51 1.48 1.18 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:xy D:yz D:x2-y2 P:x P:y D:z2 D:xy P:x P:y D:x2-y2 P:z D:xz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.33 1.33 1.00 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">102 102 102 81 74 102 15 78 81 8 93 8 93 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc O O Tc W O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.213</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">412</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">28.29 11.24 4.32 3.76 2.96 2.73 2.59 2.55 1.94 1.90 1.76 1.70 1.64 1.53 1.47 1.37 1.36 1.31 1.25 1.09 1.09 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:xy P:x D:xy D:z2 D:x2-y2 P:z D:xz P:y D:xz D:xz D:yz D:z2 P:z P:y D:yz P:y D:xy P:z P:x D:z2 D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -6.681 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.33 0.80 0.80 1.00 1.33 0.80 1.33 1.00 0.80 1.00 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">102 102 58 10 8 102 62 15 82 102 11 103 13 74 68 13 62 8 81 66 15 6 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc O W W Tc O W O Tc W Tc W O O W O W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">413</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">38.29 5.36 4.49 4.44 2.83 2.63 2.29 2.27 1.92 1.89 1.55 1.54 1.49 1.41 1.34 1.31 1.29 1.25 1.20 1.08 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:yz D:xy D:xy P:x D:z2 D:xz P:z D:xz P:y D:z2 P:z P:y P:y D:xz D:xy D:xz P:z D:z2 D:yz P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.00 0.80 0.80 1.33 0.80 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">101 101 20 25 18 5 29 1 44 3 40 34 29 101 16 16 94 5 3 32 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc W O W W O W O W O O O Tc W W O W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.099</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">31.41 21.05 8.71 5.99 4.64 3.52 3.20 2.65 1.88 1.63 1.62 1.51 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:z2 D:xz D:xy P:z D:x2-y2 P:z P:x D:xz P:z P:x P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 1.33 1.00 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="13">102 102 102 72 102 82 68 13 64 72 87 10 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc Tc O Tc 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">-2.923</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.01 6.15 5.59 4.18 4.03 3.45 2.86 2.83 2.54 2.31 2.28 2.13 2.11 1.97 1.97 1.85 1.77 1.68 1.62 1.60 1.58 1.56 1.55 1.33 1.27 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">D:xy D:xy D:z2 D:xz D:xz D:z2 D:x2-y2 D:yz D:xy D:xz D:yz P:y P:y D:z2 D:z2 D:yz P:x D:x2-y2 P:y P:x P:z P:z D:xy P:z D:xy P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 10 12 15 9 8 7 7 12 7 13 49 56 13 15 9 67 9 82 99 69 63 101 74 8 68 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W O O W W W O W O O O O Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">20.65 14.01 13.14 7.03 6.81 3.40 1.93 1.39 1.24 1.16 1.14 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:xy D:x2-y2 D:yz D:xy P:y D:xz D:x2-y2 D:xy D:x2-y2 P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -6.681 -4.492 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.00 1.00 1.00 1.33 1.00 1.00 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">101 101 103 103 38 101 103 5 9 94 40 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc Tc Tc O Tc Tc W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.862</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">20.70 10.21 8.11 7.51 5.86 4.32 4.01 3.58 2.59 1.59 1.51 1.47 1.30 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:z2 D:z2 D:x2-y2 D:xz D:xy P:z D:xz D:yz P:y P:x D:xz P:z D:yz P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.00 1.33 1.00 1.00 1.33 1.33 0.80 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">101 103 101 103 101 38 101 103 38 38 3 44 101 34 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc Tc O Tc Tc O O W O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.810</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.11 6.04 6.00 5.56 4.04 2.93 2.93 2.77 2.75 2.68 2.53 2.46 2.26 2.26 2.20 2.01 1.66 1.65 1.64 1.63 1.51 1.47 1.39 1.32 1.30 1.11 1.06 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">D:xy D:z2 D:xy D:xz D:z2 D:z2 D:x2-y2 D:yz D:xz D:xy D:z2 D:yz P:y D:xz P:y P:z P:y P:x D:x2-y2 D:yz P:x P:z D:xy P:y P:z D:z2 P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">20 2 4 5 18 3 17 3 19 2 5 17 44 17 95 40 42 33 19 19 50 35 18 34 83 19 94 4 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W O W O O O O W W O O W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.766</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.86 7.69 5.61 4.47 4.18 3.48 3.40 2.79 2.70 2.70 2.32 2.29 1.97 1.90 1.86 1.78 1.77 1.76 1.68 1.64 1.23 1.22 1.06 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">D:xz D:xz D:xy D:xy D:xy P:y D:z2 P:y P:z D:yz D:xz D:x2-y2 P:z P:x D:z2 P:x D:z2 P:y P:z P:y P:z D:xy D:z2 P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 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="25">11 6 6 11 10 89 8 59 57 13 15 6 90 66 13 97 15 82 74 68 91 14 12 81 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O W O O W W W O O W O W 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">-2.663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">11.10 7.42 6.04 4.93 3.40 2.83 2.78 2.73 2.71 2.66 2.24 2.03 1.99 1.96 1.77 1.74 1.62 1.48 1.42 1.37 1.31 1.30 1.22 1.20 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xz D:xy D:xy P:y D:x2-y2 P:y P:z D:xy D:z2 D:yz P:z D:z2 P:x D:z2 P:x D:xy D:xz P:y P:x D:yz P:z P:x P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 16 16 1 55 16 26 24 20 18 3 75 2 32 3 51 4 5 34 33 17 40 50 44 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O W O O W W W O W O W O W W O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">421</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.06 5.07 5.02 4.86 4.76 3.80 3.68 2.68 2.65 2.25 2.16 2.16 2.01 1.83 1.72 1.71 1.60 1.55 1.55 1.52 1.51 1.49 1.46 1.44 1.38 1.26 1.22 1.20 1.15 1.13 1.12 1.07 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:z2 D:z2 D:xz D:xz D:yz P:y P:y D:z2 P:x D:z2 D:x2-y2 P:x P:z D:yz P:y D:xy P:z D:x2-y2 D:xy P:z P:z P:y D:yz P:x D:x2-y2 P:y P:z P:z P:x D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">10 14 12 8 15 9 13 82 68 15 67 13 9 66 63 9 49 8 74 7 12 69 81 56 7 97 103 96 91 92 99 7 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W O O W O W W O O W O W O W W O O O W 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">-2.561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.57 7.27 6.86 4.53 4.04 2.85 2.85 2.08 1.93 1.83 1.65 1.65 1.61 1.55 1.48 1.40 1.37 1.37 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xz D:x2-y2 D:yz D:xz D:xz P:z D:yz D:z2 P:x D:x2-y2 D:xy D:yz P:x D:xy D:xz D:xz P:y D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -6.681 -4.492 -6.681 -9.089 -6.681 -4.492 -4.492 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.00 1.00 1.00 1.00 1.33 1.00 1.00 1.33 1.00 0.80 1.00 1.33 1.00 0.80 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">101 103 101 100 103 38 100 103 98 100 14 102 38 101 1 11 38 101 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc Tc Tc Tc O Tc Tc O Tc W Tc O Tc W W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">423</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.96 6.18 4.60 3.89 3.22 2.99 2.89 2.70 2.37 2.35 2.13 2.07 1.99 1.83 1.79 1.75 1.74 1.74 1.69 1.68 1.53 1.53 1.50 1.35 1.33 1.31 1.22 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:xy D:xy D:z2 D:xz D:yz D:z2 D:z2 P:y D:z2 D:xz P:z P:z P:y D:x2-y2 P:z D:x2-y2 P:y P:y D:yz P:x D:xy P:x P:z D:yz P:z D:yz D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 20 18 5 3 2 3 42 5 19 40 94 34 17 28 19 44 95 19 50 18 51 31 17 83 18 3 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O W W O O O W O W O O W O W O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">424</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.45 4.97 4.87 3.60 3.49 3.36 3.29 2.53 2.47 2.14 1.92 1.77 1.64 1.54 1.49 1.46 1.28 1.23 1.22 1.15 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xz D:yz D:yz D:yz D:xz D:xy D:xy D:xz D:xz D:x2-y2 D:xz D:z2 D:xy D:yz P:x D:x2-y2 P:x D:xy P:x P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 1.00 1.00 1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 1.33 0.80 1.33 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">11 6 102 100 103 100 6 11 1 16 100 19 2 16 101 98 6 99 14 33 61 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc Tc Tc Tc W W W W Tc W W W Tc O W O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.357</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">7.79 7.28 4.37 4.15 3.84 3.68 3.45 3.40 2.74 2.22 1.99 1.80 1.61 1.55 1.51 1.43 1.10 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:xz D:xz D:xz D:xy D:xy D:xz D:xz D:xz D:xy D:xy D:xy D:xy D:yz D:yz D:xy P:z D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">103 101 1 103 101 6 16 11 16 11 1 6 102 100 4 38 103 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc W Tc Tc W W W W W W W Tc Tc W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">426</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.75 7.53 7.50 5.26 5.17 4.31 4.31 3.72 3.71 2.86 2.82 2.61 2.42 2.37 2.27 1.64 1.63 1.61 1.41 1.37 1.27 1.24 1.22 1.19 1.13 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:z2 D:yz D:z2 P:y D:z2 P:y P:z P:z P:z D:xy D:z2 P:z D:yz D:x2-y2 D:yz D:xy D:xy P:y P:x D:xy D:xy P:x D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 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 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 15 6 14 9 87 11 86 78 65 88 6 14 77 11 11 9 11 10 77 77 9 13 88 14 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W O O O O W W O W W W W W O O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.319</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">427</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.43 5.95 4.42 4.02 3.77 3.77 3.63 3.63 3.56 3.54 3.51 3.36 3.11 3.04 2.48 2.44 2.10 2.01 2.00 1.64 1.47 1.22 1.19 1.17 1.09 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:xy D:xy D:xz D:yz P:x P:y D:yz P:x D:x2-y2 D:xy P:y D:x2-y2 D:xz D:x2-y2 P:z P:z D:xz D:x2-y2 D:yz P:x D:xy D:z2 D:xy P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">13 11 6 12 88 23 7 77 6 7 64 8 8 12 93 54 11 7 8 54 6 11 12 77 10 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W O W W O W W W O O W W W O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">428</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.13 7.38 4.89 4.63 4.49 4.34 4.20 4.08 3.72 3.70 3.31 3.16 2.99 2.93 2.75 2.61 2.31 2.27 1.71 1.63 1.54 1.33 1.26 1.26</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:xz P:y D:xz D:yz D:yz D:x2-y2 P:y P:z D:xy D:xz D:xy D:x2-y2 P:z D:yz D:x2-y2 P:x D:xy D:xz P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">3 1 46 85 16 30 18 2 17 18 84 53 17 1 16 2 43 18 16 43 2 3 53 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O W O W W W W O O W W W W O W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.237</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">429</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.47 9.89 7.53 6.55 5.56 4.77 4.35 3.96 3.25 3.21 2.69 2.64 2.48 2.43 2.34 2.03 2.00 1.92 1.85 1.46 1.26 1.16 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:z2 D:z2 P:y P:z D:z2 D:yz P:z P:y P:y P:z D:x2-y2 P:z D:z2 D:yz D:x2-y2 D:yz P:y D:xy D:xy D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">20 5 16 1 21 47 19 4 46 41 85 79 1 85 4 1 16 19 46 20 5 4 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O O W W O O O O W O W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">430</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.81 8.61 5.62 4.48 3.92 3.21 3.05 2.49 2.16 1.62 1.59 1.43 1.30 1.26 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:xz D:xy P:x D:xz D:yz D:xy D:xz P:z D:yz D:x2-y2 D:xz P:x D:xy P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -6.681 -6.681 -6.681 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.33 0.80 1.00 0.80 0.80 1.33 1.00 1.00 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">100 100 98 16 101 1 1 98 100 100 103 32 16 51 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc O W Tc W W O Tc Tc Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.181</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">431</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.69 5.66 4.66 3.96 3.84 3.02 2.84 2.58 2.48 1.99 1.92 1.83 1.73 1.69 1.57 1.48 1.44 1.42 1.23 1.20 1.20 1.19 1.17 1.10 1.08 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:x2-y2 D:xz D:yz D:z2 D:x2-y2 D:yz D:z2 D:z2 P:z P:x P:x D:xy D:x2-y2 D:yz P:x D:z2 D:xz D:xz P:y D:z2 P:y P:x P:z P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">9 14 13 15 7 8 7 13 9 7 63 70 97 10 9 14 58 13 12 13 68 6 56 66 60 61 15 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O O O W W W O W W W O W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">432</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.72 8.70 6.60 4.89 2.48 2.39 2.24 2.16 2.08 1.81 1.69 1.56 1.55 1.55 1.51 1.49 1.48 1.47 1.42 1.31 1.29 1.21 1.19 1.15 1.14 1.11 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:xy D:z2 D:z2 D:xy D:xy D:yz D:z2 D:x2-y2 D:x2-y2 P:y P:y P:y D:yz D:x2-y2 P:z D:yz D:xy D:xz P:z D:xy D:xz D:xy P:y D:z2 D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -4.492 -6.681 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 1.33 1.33 1.33 0.80 1.00 1.33 0.80 1.00 0.80 1.33 0.80 1.00 0.80 1.33 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 12 8 10 7 13 103 103 9 59 49 89 8 102 69 7 103 10 90 15 103 12 82 15 102 81 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W Tc Tc W O O O W Tc O W Tc W O W Tc W O W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">433</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.82 3.67 3.60 3.41 3.29 3.21 2.95 2.84 2.58 2.57 2.27 2.00 1.99 1.85 1.83 1.82 1.77 1.74 1.54 1.51 1.43 1.36 1.36 1.31 1.23 1.23 1.12 1.10 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:yz D:x2-y2 D:xy D:x2-y2 D:xy D:z2 D:xy D:z2 D:z2 D:xz D:yz D:x2-y2 D:yz D:xy P:y D:xz D:z2 D:x2-y2 P:z P:y D:xz D:z2 P:y D:x2-y2 D:xz D:xz P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 1.33 0.80 1.00 0.80 1.33 1.33 0.80 0.80 1.33 1.00 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">2 3 19 17 100 20 100 4 18 17 100 18 5 17 100 26 2 101 3 75 55 20 5 95 101 5 19 44 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W Tc W Tc W W W Tc W W W Tc O W Tc W O O W W O Tc W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.077</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">434</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.89 7.49 5.86 4.76 4.56 3.46 3.37 3.06 1.78 1.61 1.59 1.57 1.50 1.45 1.34 1.34 1.33 1.27 1.22 1.21 1.07 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xz D:z2 D:z2 D:xy D:x2-y2 D:xz D:x2-y2 P:x P:y D:yz D:yz P:x D:z2 P:x P:z D:z2 P:x D:xy P:z P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">4 19 18 2 20 3 5 17 25 42 17 4 36 19 32 83 3 51 18 27 29 100 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W O O W W O W O O W O W O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.057</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">435</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.66 4.99 4.44 4.38 4.29 3.66 3.29 2.85 2.75 2.54 2.05 2.02 1.99 1.82 1.77 1.62 1.51 1.44 1.41 1.37 1.27 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:xy D:z2 D:xy D:yz D:x2-y2 D:x2-y2 P:x P:x D:xz P:z P:z D:x2-y2 D:x2-y2 D:yz D:xz D:xz D:z2 D:xz D:yz D:yz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 6 11 11 10 7 12 88 77 11 88 77 102 8 15 102 15 12 6 11 14 60 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W O O W O O Tc W W Tc W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.020</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.50 6.95 6.03 5.00 4.20 3.37 3.31 3.28 2.92 2.82 2.76 2.24 1.81 1.80 1.65 1.61 1.55 1.53 1.46 1.45 1.43 1.38 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:yz D:yz D:z2 D:yz D:xy P:y P:y P:z D:yz D:z2 P:z D:yz D:x2-y2 P:y D:xz P:y D:xy D:xy D:x2-y2 D:x2-y2 D:yz D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 9 14 13 87 86 78 7 14 65 12 8 64 8 23 10 9 12 14 9 7 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O O W W O W W O W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.975</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.80 3.42 3.37 3.26 3.11 2.90 2.45 2.32 2.23 2.11 2.02 1.81 1.63 1.63 1.60 1.51 1.49 1.40 1.33 1.24 1.15 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:z2 D:xy D:xy D:x2-y2 D:xz D:x2-y2 P:x P:x D:z2 D:z2 P:x P:x D:xz D:xz D:x2-y2 D:yz D:xz D:yz D:z2 P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">1 16 11 16 6 6 17 85 46 11 1 88 77 1 16 2 5 11 20 6 77 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W O O W W O O W W W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.970</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">438</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.39 3.51 3.45 2.81 2.77 2.47 2.31 2.09 2.02 2.02 1.98 1.82 1.56 1.54 1.52 1.50 1.49 1.38 1.38 1.29 1.29 1.23 1.16 1.12 1.12 1.09 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:z2 D:xy D:z2 D:xy D:z2 D:xy P:x D:xz P:x D:xz D:x2-y2 P:y P:x D:xz D:z2 D:xz P:x D:x2-y2 D:yz P:z D:yz D:yz D:x2-y2 D:yz D:x2-y2 P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">6 11 1 16 16 6 11 85 6 46 11 17 77 88 1 1 16 77 2 10 88 5 11 11 15 12 88 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O W O W W O O W W W O W W O W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.945</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">439</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.19 5.65 5.29 4.38 3.80 3.77 3.45 3.37 3.10 2.82 2.62 2.49 2.38 2.35 2.04 2.02 1.98 1.97 1.70 1.63 1.41 1.40 1.31 1.19 1.18 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:yz D:yz D:xz D:x2-y2 D:xy P:y D:x2-y2 P:y D:z2 D:yz P:z P:z D:yz D:yz P:x D:yz D:xy P:y D:z2 D:z2 P:z D:xz P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 2 17 18 2 17 84 18 30 19 20 43 53 5 4 43 18 2 41 4 17 79 3 21 53 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W O W W O O W W O W W O W W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">440</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.50 6.50 5.01 4.76 3.95 3.67 3.27 3.17 3.13 3.01 2.99 2.73 2.36 2.08 1.92 1.81 1.77 1.65 1.42 1.42 1.36 1.26 1.25 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xz D:yz D:xy P:y P:z P:y D:yz D:xy P:z D:yz D:yz D:yz D:yz D:xz D:xz D:xy D:z2 P:y P:x P:y D:z2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">13 8 12 7 64 93 23 10 9 54 7 8 15 14 14 12 15 9 87 65 86 14 8 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W O O O W W O W W W W W W W W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">441</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.84 7.35 4.43 3.89 3.74 3.30 3.11 3.02 2.49 2.39 2.37 2.24 2.16 2.12 1.96 1.82 1.64 1.54 1.53 1.45 1.28 1.18 1.15 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:z2 D:z2 D:xz D:xy D:yz P:y D:xz D:x2-y2 P:x P:z P:x P:y D:yz D:xy D:yz P:z D:xy D:yz D:yz D:yz P:y D:yz D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">16 1 16 16 1 20 85 1 1 46 46 85 46 5 3 16 85 17 1 4 2 84 17 19 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O W W O O O O W W W O W W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.881</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">442</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">10.77 7.91 4.33 3.21 3.00 2.27 1.88 1.62 1.43 1.40 1.34 1.26 1.23 1.17 1.16 1.13 1.12 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:x2-y2 D:xz D:yz P:x D:z2 D:xy D:xy D:yz D:yz D:x2-y2 D:yz D:z2 D:xz P:x D:yz P:z D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">102 102 102 72 6 10 11 13 7 15 103 11 9 58 8 72 102 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc O W W W W W W Tc W W O W O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.841</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.62 4.95 4.71 4.65 4.57 4.42 4.09 3.75 3.31 3.22 2.85 2.64 2.49 2.34 2.06 2.02 2.02 1.76 1.71 1.70 1.62 1.62 1.49 1.40 1.36 1.18 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:yz D:xy D:yz D:yz D:xy D:z2 D:z2 P:y D:xy D:xz P:y D:yz P:z P:x D:xy D:yz P:z D:xz D:yz P:y P:z D:x2-y2 P:y P:z P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">20 19 5 4 3 19 4 41 5 18 21 2 79 79 17 19 47 4 17 30 53 4 84 43 47 19 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W O W W O W O O W W O W W O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.50 3.65 2.93 2.67 2.64 2.56 2.45 2.14 1.89 1.85 1.78 1.64 1.58 1.35 1.30 1.30 1.25 1.17 1.17 1.16 1.14 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:xz D:xz P:x D:x2-y2 D:x2-y2 D:xz D:xy D:xz D:yz D:x2-y2 D:xz D:yz P:x D:xy P:x P:x D:xz P:z D:xy D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -9.089 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 1.00 0.80 1.33 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">15 102 10 78 101 102 9 9 14 12 12 12 101 65 13 72 87 8 54 7 102 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W Tc W O Tc Tc W W W W W W Tc O W O O W O W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">445</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.64 2.42 2.33 2.13 2.09 1.50 1.50 1.49 1.43 1.38 1.32 1.32 1.27 1.19 1.19 1.17 1.17 1.13 1.11 1.08 1.06 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:x2-y2 D:xy D:xy D:xz D:xz D:xz D:xy D:z2 D:xz D:yz D:yz D:xz P:x D:xy D:xy D:xz D:xy D:z2 D:x2-y2 P:x D:x2-y2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">15 12 5 9 19 20 3 4 16 18 17 2 4 78 18 19 2 20 12 8 47 9 102 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W O W W W W W W O W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.723</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">446</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.74 6.57 6.51 4.85 3.46 3.20 2.99 2.81 2.66 2.21 2.18 2.08 1.58 1.56 1.40 1.37 1.29 1.21 1.09 1.08 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:z2 D:xz D:xz D:x2-y2 P:x P:x D:x2-y2 P:z D:yz P:z D:x2-y2 D:xy D:z2 D:xy D:z2 D:xz D:z2 P:x P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 7 10 13 12 87 86 8 23 15 64 7 15 10 14 9 9 13 56 23 82 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W O O W O W O W W W W W W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">447</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.62 3.36 3.25 3.15 3.04 2.84 2.65 2.50 2.38 2.37 2.30 1.59 1.57 1.56 1.54 1.47 1.46 1.36 1.25 1.19 1.19 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xy D:x2-y2 D:xy D:xy D:z2 D:z2 D:xz D:yz D:xz D:xy P:y D:xz P:x D:x2-y2 P:z D:xy P:x P:y P:x D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.00 0.80 1.00 0.80 1.00 0.80 0.80 0.80 1.00 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">102 10 102 14 102 12 7 15 102 14 9 82 9 72 9 74 103 70 56 58 103 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc W Tc W Tc W W W Tc W W O W O W O Tc O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.662</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">448</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.53 5.51 4.31 4.31 3.92 3.86 3.74 2.95 2.44 2.20 2.15 2.01 1.96 1.89 1.68 1.60 1.59 1.41 1.28 1.24 1.22 1.13 1.11 1.11 1.09 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz D:x2-y2 D:x2-y2 D:xy D:yz D:xz D:z2 D:x2-y2 P:x D:xz D:z2 D:xz P:z D:xy D:yz P:z P:x P:z P:y P:x P:x D:xy D:xz P:z P:y D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">20 2 18 5 5 3 17 17 21 4 19 19 84 4 20 30 47 47 53 41 43 18 2 79 43 4 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W O W W W O W W O O O O O O W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.644</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">449</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.30 5.04 4.24 4.17 3.45 3.38 3.33 3.01 2.80 2.07 1.82 1.82 1.72 1.72 1.58 1.56 1.55 1.54 1.47 1.25 1.21 1.21 1.16 1.13 1.13 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">D:z2 D:yz D:z2 D:xz D:xy D:xy D:xy D:xz D:z2 D:z2 D:xz D:xy D:xy P:x P:y D:xy D:x2-y2 P:z P:y P:x P:x D:xy D:xz P:z P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">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 1.00 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">17 101 2 4 19 20 5 20 18 3 5 3 2 25 95 4 19 35 44 36 21 100 18 94 34 27 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W Tc W W W W W W W W W W W O O W W O O O O Tc W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.606</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">450</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">8.15 6.02 5.16 2.91 2.53 2.52 2.52 2.48 2.38 2.30 2.10 2.07 2.00 1.81 1.72 1.72 1.69 1.63 1.63 1.63 1.61 1.52 1.45 1.43 1.43 1.40 1.34 1.15 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">D:xy D:xz D:xy P:x D:x2-y2 D:xz D:xz D:x2-y2 D:yz P:y D:xy D:xz P:x P:x P:z D:z2 D:xy D:xz P:x P:z D:z2 D:xy D:xz P:x D:xz D:x2-y2 P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -6.681 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 1.00 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="30">9 14 15 65 8 12 10 12 12 63 103 8 78 86 54 7 102 9 81 49 102 7 103 69 13 9 87 93 68 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W O W W W W W O Tc W O O O W Tc W O O Tc 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">-1.592</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">451</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.22 6.10 4.84 4.70 4.40 3.37 2.84 2.41 2.27 2.18 2.12 2.11 1.99 1.92 1.77 1.72 1.62 1.57 1.49 1.48 1.40 1.32 1.17 1.16 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:z2 D:xz D:yz D:z2 D:xy P:x D:xz D:xy D:yz D:x2-y2 D:z2 D:z2 D:yz D:x2-y2 P:y P:y D:yz D:xy P:z P:z P:z D:x2-y2 P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 8 15 7 12 14 58 9 12 13 13 13 7 12 15 59 89 15 8 60 57 90 7 56 62 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W W W W W W W W O O W W O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.548</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.39 6.24 4.73 3.75 2.94 2.77 2.57 2.47 2.35 2.20 2.19 2.04 1.88 1.82 1.78 1.72 1.72 1.71 1.65 1.57 1.55 1.50 1.47 1.44 1.33 1.29 1.11 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xz D:xy D:xy D:x2-y2 D:xz D:x2-y2 D:xz P:x D:yz D:xz P:x D:z2 P:x P:x D:z2 P:z P:x D:xy P:y D:xz D:xy P:z P:y P:z D:x2-y2 D:xz P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.00 1.33 1.33 0.80 1.33 0.80 1.00 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">4 19 5 18 3 2 2 79 2 18 41 17 47 94 101 43 34 17 83 20 101 42 53 30 19 19 35 18 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W O W W O W O O Tc O O W O W Tc O O O W W O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">453</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.85 4.53 3.54 3.39 3.21 2.87 2.75 2.53 2.51 2.28 2.01 1.94 1.92 1.90 1.78 1.62 1.59 1.58 1.56 1.53 1.42 1.39 1.24 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:z2 D:xy D:xz D:x2-y2 D:xz P:x P:z D:x2-y2 D:xy D:xz D:z2 P:x D:z2 P:z D:xy P:x D:x2-y2 P:x P:z D:x2-y2 P:z D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 0.80 1.00 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">14 7 9 10 103 13 86 49 8 15 102 13 87 10 64 7 56 9 68 23 12 82 103 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W Tc W O O W W Tc W O W O W O W O O W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.507</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.68 6.14 4.00 3.79 3.27 2.54 2.51 2.44 2.34 2.29 2.25 2.12 1.70 1.58 1.46 1.44 1.31 1.28 1.27 1.21 1.21 1.21 1.17 1.16 1.15 1.15 1.12 1.12 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:xz D:xy D:z2 D:xz D:xy D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 P:x D:yz D:x2-y2 P:y P:z D:xy D:z2 P:x P:y P:z P:z P:x D:xy D:z2 P:z P:z D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</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 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">17 4 20 2 3 19 5 2 4 19 2 3 36 17 18 95 35 18 18 34 26 27 30 41 5 20 84 42 5 75</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 O O W W O O O O O W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">455</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.82 2.77 2.63 2.63 2.60 2.46 2.06 1.80 1.71 1.66 1.60 1.57 1.41 1.29 1.27 1.27 1.22 1.21 1.17 1.14 1.13 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:xz D:xy D:z2 D:xz D:xz D:z2 D:xz D:xz D:xy D:xy D:xy D:yz D:z2 P:x D:yz D:yz D:xy P:x P:x D:xy D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">3 11 20 18 4 6 12 5 20 11 6 14 5 8 97 17 2 4 25 41 5 19 10</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 O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.470</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">456</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.33 3.90 3.22 2.36 1.98 1.92 1.90 1.73 1.69 1.61 1.58 1.57 1.54 1.45 1.42 1.26 1.23 1.18 1.08 1.06 1.05 1.04 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:xz D:xy D:xy D:z2 D:xy D:xy D:z2 P:x D:xy P:x D:z2 D:z2 D:z2 D:z2 D:xz D:xy D:yz P:x D:xz D:xz D:xz P:x D:yz P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</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 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 6 14 6 8 11 20 3 66 10 97 18 12 7 9 9 15 7 99 4 5 14 67 2 59 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O W O W W W W W W W O W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.367</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.34 6.16 5.27 4.42 3.45 3.20 3.13 2.78 2.66 2.34 2.32 2.25 2.00 1.70 1.63 1.62 1.58 1.45 1.37 1.36 1.24 1.22 1.22 1.20 1.15 1.09 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:xz D:xz D:xy D:xy D:z2 D:xy D:z2 P:x P:x D:xy D:z2 D:xz P:x P:x D:z2 D:x2-y2 D:xz P:z P:z D:yz P:z P:y D:z2 D:yz P:z D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">16 1 4 1 18 16 2 51 32 20 19 19 33 50 3 16 5 22 52 17 31 26 17 3 28 3 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W O O W W W O O W W W O O W O O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.23 4.98 4.63 4.07 3.31 3.05 2.96 2.85 2.82 2.81 2.57 2.53 2.38 2.19 1.49 1.44 1.42 1.40 1.40 1.40 1.33 1.33 1.32 1.27 1.24 1.20 1.17 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xz D:xz D:xz D:xz D:xy D:xz D:x2-y2 D:z2 D:x2-y2 D:xz D:z2 D:x2-y2 P:x D:xy P:y D:xy D:x2-y2 D:yz P:z D:z2 P:z P:x P:x P:x D:xy P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 1.00 1.00 0.80 1.00 1.00 0.80 0.80 1.00 0.80 1.33 0.80 1.33 0.80 1.00 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">15 15 10 7 103 103 12 103 103 7 9 102 12 78 12 89 10 102 10 74 8 57 57 87 23 8 63 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W Tc Tc W Tc Tc W W Tc W O W O W Tc W O W O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.289</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.77 3.75 3.64 3.44 3.16 3.12 3.07 2.91 2.81 2.36 2.26 1.67 1.65 1.58 1.57 1.41 1.40 1.39 1.33 1.30 1.27 1.21 1.20 1.19 1.18 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">D:x2-y2 D:xy D:yz D:xz D:z2 D:xy D:z2 D:yz D:xy D:x2-y2 D:x2-y2 P:z P:y D:xy D:yz P:y D:xz P:y D:x2-y2 D:xz P:y D:z2 P:x P:x D:z2 P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -6.681 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.00 1.33 1.00 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">12 14 15 6 13 10 8 10 7 11 13 78 68 11 102 59 102 87 9 9 77 6 54 60 15 49 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W O O W Tc O Tc O W W O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.277</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.50 4.75 4.00 3.87 3.86 3.63 3.35 3.02 2.90 2.50 2.49 2.43 2.33 1.88 1.83 1.80 1.77 1.45 1.39 1.36 1.35 1.30 1.20 1.11 1.07 1.05 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:x2-y2 D:xz D:xz D:xz D:z2 D:xy D:x2-y2 D:z2 D:x2-y2 D:xy D:xy P:x P:y D:xz P:x D:xy D:xy D:x2-y2 P:z P:z P:x D:xz P:y D:xz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 1.00 1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 1.00 1.33 1.33 0.80 1.33 0.80 0.80 1.00 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">20 5 100 100 5 17 100 20 2 101 17 4 100 47 55 19 21 18 2 101 24 40 24 2 42 3 19 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W Tc Tc W W Tc W W Tc W W Tc O O W O W W Tc O O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.68 4.29 3.34 3.25 3.17 2.97 2.24 2.12 2.03 1.84 1.77 1.71 1.62 1.56 1.50 1.45 1.40 1.27 1.22 1.06 1.05 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:xz D:xy D:x2-y2 D:xz D:x2-y2 D:yz D:yz D:x2-y2 D:yz D:z2 D:xy D:xy D:z2 D:z2 D:xy P:y S D:x2-y2 P:y P:z P:z D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -14.028 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 2.00 0.80 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">18 16 4 1 19 3 5 101 2 20 17 17 1 3 16 20 85 106 19 26 47 46 101 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W Tc W W W W W W W W O P W O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.173</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.38 4.39 3.52 3.45 3.27 3.27 3.22 2.53 2.35 1.87 1.83 1.75 1.56 1.51 1.45 1.40 1.36 1.31 1.30 1.28 1.27 1.22 1.21 1.10 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:xy D:yz D:z2 D:yz D:xy D:z2 D:z2 D:xy D:xz P:y P:z P:x D:yz D:x2-y2 D:xz P:y P:z D:xz D:z2 P:z P:y D:x2-y2 D:yz D:xz D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.00 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 13 9 8 10 9 9 12 15 102 86 70 62 8 13 8 70 66 10 7 93 64 102 15 6 7 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W Tc O O O W W W O O W W O O Tc W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.25 3.97 3.24 3.16 2.89 2.28 2.21 2.05 2.03 1.98 1.79 1.64 1.55 1.48 1.46 1.40 1.38 1.36 1.33 1.29 1.27 1.25 1.23 1.21 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">D:xy D:xy D:z2 D:yz D:xy D:yz D:xz D:x2-y2 P:x D:xz D:x2-y2 D:yz D:z2 P:x P:x D:yz D:xy D:yz D:xz D:xz P:z P:y D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">3 17 2 4 5 20 20 18 27 18 101 19 19 29 38 18 19 2 103 2 43 30 8 84 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W O W Tc W W O O W W W Tc W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.133</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.99 8.33 4.39 4.25 3.92 3.37 3.29 3.23 2.73 2.58 2.52 2.23 2.02 1.90 1.85 1.47 1.42 1.32 1.22 1.15 1.12 1.08 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:xy D:xy D:yz P:y P:z D:yz P:y D:z2 P:z P:z D:yz P:z D:yz P:x P:x P:z D:z2 P:y D:z2 P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 4.055 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 11 11 6 10 67 99 15 97 9 66 88 11 77 14 88 77 78 15 87 6 77 6 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O O W O W O O W O W 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">-1.105</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.62 5.75 5.75 4.43 3.19 3.04 2.74 2.65 2.64 2.63 2.18 1.97 1.97 1.94 1.92 1.75 1.62 1.56 1.50 1.29 1.21 1.17 1.12 1.12 1.11 1.08 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xz D:x2-y2 D:xz D:z2 P:x D:xy D:xy D:x2-y2 P:x D:z2 D:xy P:x D:xy P:y P:y D:yz D:xz P:y D:xz P:z P:x P:z D:x2-y2 P:y P:z D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">11 6 6 11 11 88 7 6 11 77 6 13 96 15 91 77 12 12 92 8 92 61 88 12 61 91 10 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W O W W W O W W 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">-1.101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">466</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.79 5.48 3.72 3.69 3.25 3.10 3.06 3.02 3.02 2.47 2.40 2.19 2.06 1.97 1.94 1.89 1.88 1.69 1.65 1.61 1.50 1.47 1.39 1.16 1.11 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:xy D:xy D:yz D:yz D:yz D:yz D:xz D:yz P:x P:x P:y P:y D:yz D:yz D:x2-y2 P:z D:z2 D:z2 D:x2-y2 P:z D:x2-y2 D:yz D:xz P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">13 7 15 10 8 14 8 12 60 62 64 23 9 13 8 93 9 12 7 54 12 7 12 78 87 70</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 O W W W O W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.074</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">467</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.77 7.01 6.16 5.69 4.39 3.91 3.26 2.26 2.19 2.12 2.01 1.79 1.69 1.48 1.41 1.39 1.37 1.36 1.31 1.24 1.15 1.13 1.12 1.10 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xz D:xz P:x P:x D:xy P:y D:xy P:x D:x2-y2 P:y D:x2-y2 P:x D:yz D:x2-y2 D:xz D:z2 P:z D:yz D:xy P:z P:z P:y D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 4.055 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.00 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 16 1 16 46 85 17 31 3 52 18 22 2 28 2 16 20 16 52 17 1 28 22 28 3 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W O W O W O W O W W W W O W W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.062</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">468</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.32 3.96 3.00 2.70 2.63 2.30 2.16 2.11 2.08 1.95 1.95 1.92 1.54 1.52 1.26 1.25 1.20 1.18 1.13 1.09 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:yz D:x2-y2 D:xz D:x2-y2 P:x D:xz P:z D:xz P:y D:z2 D:xy D:yz P:x D:yz D:xz P:y D:xz D:xz D:xz D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -6.681 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.00 1.33 0.80 0.80 1.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">3 18 101 18 8 29 14 53 13 30 18 9 3 38 2 103 90 10 8 101 13 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc W W O W O W O W W W O W Tc O W W Tc W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.028</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">469</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.76 6.20 3.60 2.52 2.31 2.03 1.88 1.87 1.75 1.45 1.44 1.41 1.38 1.29 1.26 1.23 1.14 1.13 1.12 1.04 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:yz D:yz D:x2-y2 D:yz D:yz P:y D:z2 D:xz P:y D:z2 P:y D:xz D:xz D:yz D:x2-y2 P:z D:xy P:z P:z D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">20 4 8 19 5 41 4 13 21 19 36 14 10 2 12 25 15 32 50 18 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W O W W O W O W W W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.028</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">470</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.83 9.92 4.68 4.07 3.99 3.85 3.47 3.38 3.30 2.86 2.73 2.67 2.42 1.62 1.55 1.55 1.36 1.35 1.35 1.29 1.24 1.23 1.17 1.16 1.11 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 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:x2-y2 P:y D:z2 D:yz P:y D:x2-y2 P:z P:z P:z P:y D:yz P:z P:z D:yz D:yz P:z P:y D:z2 D:xy D:z2 D:z2 D:xy D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 4.055 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 16 16 33 19 5 51 1 50 46 32 85 20 85 79 1 19 47 46 5 5 4 1 17 4 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W O W W O W O O O O W O O 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">-0.990</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">471</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.52 5.71 5.40 3.52 3.06 2.71 2.15 2.06 1.90 1.72 1.54 1.45 1.38 1.29 1.20 1.20 1.16 1.12 1.12 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:xy D:xz D:xz D:x2-y2 D:z2 P:y D:x2-y2 P:x D:xy P:x D:xz D:x2-y2 P:z P:y D:xz D:z2 P:z D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 0.80 1.33 1.00 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">18 19 4 3 2 3 75 101 79 5 41 103 17 30 53 19 17 26 12 26 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W O Tc O W O Tc W O O W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.950</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">472</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.54 2.51 2.21 2.16 2.15 1.85 1.77 1.72 1.71 1.48 1.37 1.30 1.28 1.24 1.23 1.21 1.16 1.15 1.13 1.13 1.12 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:x2-y2 D:yz D:xy D:xz D:xz D:yz D:z2 D:z2 D:yz D:x2-y2 D:xz D:yz D:xz D:xy D:xz D:yz P:x D:z2 D:xz D:z2 D:yz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681</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 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">12 18 14 15 20 3 9 11 7 4 101 10 5 7 5 2 20 38 19 4 6 19 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W Tc W W W W W W O W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.924</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.55 7.69 7.20 6.83 4.81 4.20 4.07 3.26 3.20 2.82 2.73 2.41 2.00 1.93 1.83 1.74 1.66 1.51 1.37 1.37 1.34 1.04 1.02 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 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xz D:x2-y2 D:xy D:xz D:z2 P:y P:z P:z P:x P:x D:xy P:y P:x P:x D:xz P:z D:xy P:z P:x D:x2-y2 D:yz D:x2-y2 D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 4.055 4.055 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">14 13 8 9 8 13 90 59 64 81 68 8 93 86 65 9 93 13 49 59 13 8 8 13 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O O O O O W O O O W O W O O W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.86 3.07 2.88 2.76 2.56 2.28 2.26 2.10 1.92 1.89 1.84 1.72 1.69 1.58 1.56 1.27 1.26 1.21 1.09 1.09 1.05 1.04 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:z2 D:xy D:z2 D:xy D:xy D:yz D:yz D:x2-y2 D:yz D:xy D:yz D:yz D:xz D:xz D:z2 P:z D:xy P:z D:xz P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">10 11 6 15 7 13 15 14 8 8 11 13 9 20 12 6 99 17 78 103 67 6 2</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 W O Tc O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.865</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">475</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.54 8.38 6.64 6.07 4.22 4.06 3.03 2.95 2.82 2.71 2.68 2.27 2.19 2.03 1.95 1.91 1.82 1.63 1.54 1.41 1.25 1.20 1.13 1.13 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 2 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:xy D:x2-y2 D:xz D:xz P:y P:x D:z2 P:x P:z D:xz P:x P:x D:xy P:z P:x D:xy P:z P:y D:xz D:xy D:xy P:x P:z P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 4.055 4.055 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.00 0.00 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 19 18 3 18 75 41 3 79 26 19 34 94 3 30 26 18 42 53 4 19 4 75 53 83 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O O W O O W O O W O O W O O W W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.861</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.27 3.19 2.55 2.43 2.31 2.04 1.85 1.81 1.72 1.71 1.63 1.58 1.52 1.30 1.27 1.22 1.20 1.20 1.15 1.11 1.11 1.06</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 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xy D:xy D:xz D:xz D:xz D:xy D:xz D:xz D:xz D:xy D:yz S P:y D:xy D:xz D:xy P:x D:xy P:z S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -2.078 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -2.078 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">10 15 17 14 13 20 7 102 12 2 13 5 108 57 5 8 16 68 3 82 109 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W Tc W W W W Cs O W W W O W O Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.830</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.37 5.03 4.65 3.85 2.38 2.25 2.22 2.22 2.11 2.08 1.79 1.68 1.56 1.42 1.29 1.27 1.15 1.13 1.12 1.12 1.06 1.05 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:x2-y2 D:yz D:z2 D:z2 D:xz D:xy D:z2 D:xy D:xy D:z2 D:yz P:y D:z2 D:z2 P:z P:z D:xz D:xz D:xy P:x D:xy D:xz P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">4 2 19 1 17 4 16 16 5 19 5 20 51 3 20 50 32 17 3 4 43 1 20 36 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W O W W O O W W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.742</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">478</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.82 5.29 4.70 4.52 2.42 2.36 2.05 1.99 1.87 1.81 1.75 1.70 1.45 1.41 1.32 1.28 1.26 1.20 1.14 1.13 1.09 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xz P:x D:x2-y2 D:xz P:z D:xy D:xz D:x2-y2 D:xz D:xz D:xy D:yz D:xy D:xz D:z2 D:xy D:xz D:xy P:y D:x2-y2 P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.33 1.00 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.00 1.00 1.00 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="23">101 103 38 101 14 38 5 3 8 13 20 103 103 101 10 17 15 4 18 24 12 55 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc O Tc W O W W W W W Tc Tc Tc 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">-0.696</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.87 3.30 2.83 2.76 2.53 2.52 2.49 2.22 2.01 1.98 1.97 1.67 1.64 1.59 1.58 1.55 1.52 1.46 1.44 1.40 1.40 1.38 1.34 1.33 1.29 1.27 1.08 1.08 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xz D:x2-y2 D:x2-y2 D:xy D:z2 D:yz D:x2-y2 D:yz D:x2-y2 P:x D:z2 P:y D:xy D:z2 D:z2 D:xy P:z P:z D:z2 D:xz D:yz D:xz D:xy D:yz D:xz D:yz P:y D:yz P:x D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089</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 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">11 12 7 6 12 10 6 13 8 60 15 92 7 11 6 10 91 61 13 103 9 7 14 8 15 14 97 15 67 102 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W O W O W W W W O O W Tc W W W W W W O W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.624</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">480</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.66 3.31 3.26 2.74 2.63 2.55 2.54 2.52 2.15 2.10 2.03 1.97 1.95 1.93 1.86 1.77 1.67 1.65 1.61 1.49 1.48 1.32 1.31 1.30 1.29 1.29 1.18 1.16 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:x2-y2 D:x2-y2 D:z2 D:yz D:yz D:xy D:x2-y2 D:xy D:z2 D:z2 D:z2 D:yz D:x2-y2 P:x D:z2 D:xz D:xy P:y D:yz P:z D:yz P:y P:x P:z D:yz P:y D:yz D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.00 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">1 17 16 2 20 19 16 2 20 5 3 1 4 18 27 16 5 17 22 3 31 5 51 33 28 101 52 18 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 O W W W O W O W O O O Tc O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">481</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.21 8.94 6.96 4.49 4.46 4.43 3.46 3.44 2.98 2.88 2.00 1.66 1.60 1.32 1.24 1.22 1.21 1.15 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:z2 D:x2-y2 D:xz D:z2 D:z2 D:x2-y2 P:y D:xy P:x D:x2-y2 P:z D:xz P:x D:x2-y2 D:yz P:y D:xz D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -6.681 -4.492 -9.089 -6.681 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 0.80 1.00 0.80 1.33 1.00 1.33 1.00 1.33 0.80 1.33 0.80 0.80 1.33 1.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 100 100 17 101 2 35 100 95 101 95 20 35 17 2 83 101 5 84 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc W Tc W O Tc O Tc O W O W W O Tc W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.585</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">12.71 9.64 6.08 4.51 3.85 3.76 3.02 3.00 2.80 1.96 1.90 1.87 1.49 1.45 1.41 1.34 1.32 1.27 1.21 1.18 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:x2-y2 D:xz D:z2 D:xy P:y D:x2-y2 D:z2 P:x D:xz P:z S D:yz D:x2-y2 D:xy D:xz D:x2-y2 P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -6.681 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089 -2.078 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 1.00 0.80 1.00 1.33 0.80 1.00 1.33 0.80 1.33 1.00 0.80 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">103 103 103 7 103 69 12 102 56 10 56 108 12 102 15 9 7 89 69 23 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Tc W Tc O W Tc O W O Cs W Tc W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">31.69 28.88 6.23 5.97 2.39 1.80 -1.60 -1.49 1.11 1.09 -1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">2 2 3 3 1 1 2 2 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S D:xz D:x2-y2 S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-2.078 -2.078 0.215 0.215 0.031 0.031 0.790 0.790 1.232 1.232 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">109 108 109 108 109 108 101 103 3 14 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Cs Cs Cs Cs Cs Cs Tc Tc W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.326</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.75 9.81 5.91 4.75 4.42 3.66 2.73 2.29 2.10 2.03 1.88 1.73 1.52 1.46 1.40 1.39 1.39 1.36 1.33 1.16 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:x2-y2 D:xz P:y P:z D:xy D:xy D:z2 S D:xy D:z2 S D:xz P:y P:z D:z2 P:z P:y D:x2-y2 D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -2.078 -4.492 -4.492 -2.078 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 1.00 1.33 1.33 1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 1.33 1.33 1.00 1.33 1.33 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">102 102 102 74 82 102 15 10 109 8 13 108 10 81 89 101 68 57 101 10 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Tc O O Tc W W Cs W W Cs W O O Tc O O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.315</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">485</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.48 8.51 6.10 4.38 4.18 3.52 2.72 2.25 2.17 1.95 1.85 1.80 1.70 1.65 1.57 1.53 1.52 1.41 1.27 1.26 1.13 1.11 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:x2-y2 D:xz P:y P:z D:xy D:xy S D:xy D:xz D:z2 S D:z2 P:y D:x2-y2 D:z2 P:z D:z2 D:x2-y2 D:xz D:x2-y2 P:z P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -6.681 -2.078 -4.492 -4.492 -6.681 -2.078 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 1.00 1.00 1.33 1.33 0.80 1.00 1.00 0.80 0.80 1.00 1.00 0.80 1.33 1.00 0.80 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="24">101 101 101 40 44 5 101 109 18 20 102 108 20 24 102 3 55 17 2 3 20 34 94 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc Tc Tc O O W Tc Cs W W Tc Cs W O Tc W 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">-0.168</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">34.19 32.66 1.88 1.35 1.25 1.21 1.10 1.07 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">2 2 2 2 3 3 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S P:y P:z S S S S D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-2.078 -2.078 -0.436 -0.436 1.232 1.232 1.232 1.232 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">108 109 109 108 11 6 16 1 101 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs W W W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.090</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">487</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">28.89 15.88 7.49 6.65 5.58 4.55 2.91 1.95 1.94 1.92 1.60 -1.60 -1.59 -1.54 1.50 -1.49 -1.41 1.18 1.11 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">2 1 2 1 3 3 2 3 3 3 2 1 2 2 3 2 2 3 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S P:x S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">0.790 -5.054 2.471 -6.493 1.232 1.232 0.790 1.232 1.232 1.232 -5.688 -5.054 0.790 2.224 1.232 0.790 3.429 1.232 -5.688 1.232 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 2.00 0.00 1.00 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 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">100 100 105 105 19 4 102 16 17 1 19 101 103 106 2 101 106 5 4 20 102</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc H H W W Tc W W W W Tc Tc P W Tc P W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">15.69 6.95 5.17 3.40 2.58 2.52 2.42 2.41 2.38 2.32 2.26 2.22 2.07 2.02 1.58 1.42 1.38 1.36 1.28 1.27 1.24 1.18 1.16 1.14 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 1 2 1 1 1 3 3 2 2 2 1 3 3 1 3 1 2 1 3 3 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S D:yz D:yz S S S S S S S S D:yz S S S D:xz S S D:xy D:x2-y2 S D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.790 -5.054 0.790 -5.054 -4.492 -4.492 1.232 1.232 2.471 -2.078 -2.078 -6.493 1.232 1.232 -4.492 1.232 -6.493 2.471 -4.492 1.232 1.232 -4.492 -4.492 1.232 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 2.00 0.00 2.00 0.80 0.80 0.00 0.00 0.00 1.00 1.00 1.00 0.00 0.00 0.80 0.00 1.00 0.00 0.80 0.00 0.00 0.80 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">102 102 100 100 6 11 15 13 104 109 108 104 8 10 15 11 105 105 8 12 6 8 13 7 14 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Tc Tc Tc Tc W W W W H Cs Cs H W W W W H H W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">15.96 7.40 3.82 3.81 3.64 3.62 2.78 2.21 1.81 1.69 1.69 1.66 1.34 1.25 1.13 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">2 1 1 2 1 1 1 3 1 1 3 1 1 3 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S D:yz S S D:yz D:z2 S D:z2 S S D:yz D:xy S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">0.790 -5.054 -4.492 2.471 -6.493 -4.492 -4.492 1.232 -4.492 -14.028 1.232 -4.492 -4.492 1.232 1.232 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.00 2.00 0.80 0.00 1.00 0.80 0.80 0.00 0.80 2.00 0.00 0.80 0.80 0.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">102 102 11 104 104 6 14 15 9 107 10 9 8 12 7 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc W H H W W W W P W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.094</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.31 3.96 3.88 3.26 3.26 2.64 2.57 2.46 2.01 1.97 1.95 1.91 1.81 1.76 1.67 1.66 1.66 1.63 1.63 1.56 1.44 1.37 1.34 1.26 1.25 1.20 1.18 1.15 1.13 1.12 1.11 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:yz D:yz D:xy S D:xz S D:xy D:x2-y2 D:xy P:x D:xy D:z2 D:x2-y2 S S D:yz S P:y D:xz P:y D:x2-y2 D:x2-y2 D:xz P:z P:x S P:z D:z2 P:x S D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -14.028 -4.492 0.790 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 0.790 -5.054 -4.492 3.429 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -6.493 -9.089 -4.492 -9.089 2.471 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 2.00 0.80 0.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.00 2.00 0.80 0.00 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.00 1.33 0.80 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">16 1 18 106 18 100 2 3 1 29 3 4 16 102 100 17 106 46 3 31 17 1 17 52 30 105 85 19 53 105 5 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W P W Tc W W W O W W W Tc Tc W P O W O W W W O O H O W O H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.11 3.87 3.29 3.22 2.97 2.81 2.73 2.63 2.41 2.32 2.16 2.07 2.02 1.86 1.85 1.77 1.71 1.69 1.67 1.63 1.48 1.47 1.34 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:x2-y2 D:x2-y2 D:z2 D:xy D:xy D:z2 D:xz D:x2-y2 D:z2 D:xy D:z2 D:xy D:yz D:xz D:yz D:x2-y2 P:x D:xz D:yz D:x2-y2 D:x2-y2 D:yz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 11 6 15 12 8 9 8 10 10 11 14 13 15 7 7 7 62 13 11 14 13 12 78 87</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 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">0.215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">8.51 8.25 6.40 6.40 4.40 4.18 4.08 4.08 -3.62 3.01 2.40 2.22 -2.15 -1.88 1.86 1.74 1.73 1.69 1.67 1.66 1.63 1.62 1.48 1.45 1.30 1.28 1.26 1.19 1.18 1.08 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 2 2 2 2 2 2 2 2 2 2 1 2 2 1 1 2 2 3 2 3 1 1 2 1 2 2 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S P:x S P:y S P:z P:y D:z2 P:z S S S S P:x S S S S S S D:yz S S D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 2.224 0.790 -0.436 0.790 2.224 2.224 -4.492 -0.436 2.471 -5.054 -6.493 -5.688 -0.436 1.232 -5.688 1.232 -5.054 -6.493 2.471 -4.492 0.790 0.790 -4.492 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 1.00 2.00 0.00 0.00 2.00 0.00 2.00 1.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">20 5 7 12 20 5 7 12 107 102 108 103 106 106 20 109 105 102 105 2 109 2 17 17 103 104 104 5 100 101 4 9 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W P Tc Cs Tc P P W Cs H Tc H W Cs W W W Tc H H W Tc Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.239</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.01 3.53 3.14 2.93 2.78 2.78 2.70 2.46 2.45 2.40 2.39 2.33 2.26 2.03 1.99 1.90 1.81 1.48 1.47 1.44 1.28 -1.24 1.11 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 3 3 1 2 2 3 3 1 1 1 1 1 2 1 2 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:yz D:z2 D:z2 D:z2 S S D:yz S S S S D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:xz S D:x2-y2 S D:yz P:x S D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 1.232 1.232 -4.492 -5.688 -5.688 1.232 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -5.688 -4.492 2.224 0.790 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 2.00 2.00 0.00 0.00 0.80 0.80 0.80 0.80 0.80 2.00 0.80 2.00 0.80 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">19 1 5 4 16 20 5 16 20 5 12 7 20 2 1 4 17 12 16 7 5 107 102 20 1</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 W W W W W P Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.334</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">5.48 5.15 4.54 4.21 -4.19 4.13 3.79 3.65 -3.63 3.49 3.47 3.40 3.28 3.06 3.04 2.83 2.77 2.71 2.60 2.52 2.39 2.30 2.29 2.25 2.19 2.19 -2.19 2.15 1.98 1.85 -1.70 -1.61 1.49 1.45 1.41 1.37 1.33 1.18 1.18 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 2 3 2 3 3 3 2 3 2 3 1 3 2 2 2 2 3 2 3 1 3 2 2 2 1 2 2 2 1 1 2 2 2 2 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">S S S S S S S S S S S S S S S S S S S S S S S S S S S P:x P:x S S P:x S S P:z P:z S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-6.493 -5.054 2.471 1.232 0.790 1.232 1.232 1.232 0.790 1.232 0.790 1.232 -6.493 1.232 -5.688 -5.688 -5.688 2.471 1.232 -5.688 1.232 -5.054 1.232 -5.688 -5.688 -5.688 -5.054 -0.436 -0.436 -5.688 -5.054 -0.773 -5.688 -5.688 -0.436 -0.436 1.232 1.232 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">1.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">104 102 104 6 103 1 11 16 101 7 102 12 105 2 6 11 1 105 17 16 5 100 20 7 2 12 103 108 109 17 101 102 5 20 109 108 10 8 10 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">H Tc H W Tc W W W Tc W Tc W H W W W W H W W W Tc W W W W Tc Cs Cs W Tc Tc W W Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.450</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">495</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.66 6.02 5.60 5.44 5.34 5.31 4.50 4.01 3.95 3.88 2.99 2.86 2.55 2.48 2.44 2.41 2.16 2.08 2.06 1.89 -1.78 1.63 1.61 1.59 1.44 -1.20 -1.18 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 3 3 1 3 1 2 2 2 3 3 1 2 2 3 3 1 2 3 2 1 2 2 1 2 2 3 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 S D:xz S S P:x D:x2-y2 S S S S P:y S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 0.215 -5.054 0.215 -5.054 0.790 0.790 -5.688 1.232 1.232 -6.493 -5.688 -5.688 1.232 1.232 0.031 2.471 1.232 2.224 0.031 -5.688 -5.688 -6.493 0.790 -0.436 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 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 2.00 2.00 1.00 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">8 8 13 109 103 108 101 103 101 13 1 6 104 1 6 4 2 109 104 12 107 108 4 2 105 100 109 17 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W Cs Tc Cs Tc Tc Tc W W W H W W W W Cs H W P Cs W W H Tc Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.498</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">11.80 10.36 9.56 8.05 7.88 6.75 5.92 4.82 4.25 3.39 3.31 3.07 -3.07 -2.94 2.80 -2.74 2.64 2.38 2.34 -2.12 1.96 1.94 1.82 1.79 1.78 1.68 1.38 1.36 1.28 1.25 1.21 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">3 3 3 3 2 2 2 2 3 3 3 2 2 2 3 2 3 3 2 2 3 2 2 3 3 2 2 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S S S S S S S P:y P:y S P:z S S S P:z S S S S S S S P:x S P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 -5.688 2.224 2.224 1.232 2.224 1.232 1.232 -5.688 2.224 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -0.436 -5.688 -0.436 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">11 16 6 1 11 16 6 1 13 19 10 13 107 106 17 107 15 2 19 106 4 10 17 7 8 15 2 109 4 108 8 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W P P W P W W W P W W W W W W W Cs W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.544</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">497</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="34">8.77 8.22 6.52 6.20 5.98 5.90 5.68 5.56 5.11 5.07 4.60 3.84 3.48 3.46 3.37 3.31 2.73 2.54 -2.25 2.17 2.13 1.98 -1.74 1.71 1.57 -1.52 1.43 1.36 1.34 -1.28 1.25 -1.13 -1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 3 3 2 3 2 3 3 3 3 2 2 2 2 2 2 3 3 2 3 3 3 2 1 3 2 2 2 2 2 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S S S S S S S S S S S S S P:x S S S P:y S S P:z S S S P:y S P:x P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.232 1.232 1.232 -5.688 1.232 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 1.232 2.224 1.232 1.232 1.232 2.224 -5.054 1.232 2.224 0.790 -5.688 -5.688 2.224 1.232 2.224 2.224 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 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 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">4 19 10 4 2 19 17 15 8 13 10 15 8 2 13 17 3 9 106 18 14 5 106 100 7 107 100 9 3 107 20 107 106 5</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 P W W W P Tc W P Tc W W P W P P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.547</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="36">4.50 4.30 4.08 3.49 3.45 3.43 3.30 2.96 2.95 2.95 2.91 2.88 2.77 2.53 2.53 2.51 2.36 2.23 2.18 2.10 2.08 2.07 1.96 1.71 1.57 1.54 1.53 1.35 1.35 1.27 1.26 1.19 1.16 1.11 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">3 2 3 3 2 2 3 3 2 2 3 3 2 2 2 3 3 2 2 2 3 2 2 2 1 1 3 2 3 2 2 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S P:y S S S S S S P:z S S S S S P:x S S S S S S P:x S S D:z2 D:yz S S S P:y S D:x2-y2 D:yz P:z P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">1.232 -0.436 1.232 1.232 -5.688 -5.688 1.232 1.232 -0.436 -5.688 1.232 1.232 -5.688 -5.688 -0.436 1.232 1.232 -5.688 -5.688 -5.688 1.232 -0.436 -5.688 -5.688 -4.492 -4.492 1.232 -5.688 1.232 -0.436 -5.688 -4.492 -4.492 -0.436 -5.485 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 2.00 0.00 0.00 2.00 0.80 0.80 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">20 109 12 7 20 12 5 11 108 7 1 16 5 11 108 17 15 15 1 16 6 109 17 6 14 9 2 2 10 108 10 3 14 109 107 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W Cs W W W W W W Cs W W W W W Cs W W W W W W Cs W W W W W W W Cs W W W Cs P Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">499</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.02 9.34 7.99 7.76 5.38 5.02 4.84 4.62 4.36 3.79 3.63 3.26 3.20 2.41 2.04 -1.73 1.68 1.60 -1.50 1.42 1.32 1.30 -1.28 1.25 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 3 2 2 3 2 3 3 2 3 2 2 2 3 2 2 1 3 2 1 3 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S S S S P:y S S S P:x D:yz S P:y D:x2-y2 S S P:y S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 -5.688 1.232 1.232 -5.688 1.232 -5.688 -0.436 -5.688 0.215 0.790 2.224 -4.492 1.232 2.224 -4.492 1.232 0.790 -0.773 -5.054 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">2 15 2 15 8 10 10 19 8 17 19 108 17 109 100 106 6 13 107 15 4 103 100 103 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W Cs W Cs Tc P W W P W W Tc Tc Tc Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">500</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.76 5.69 5.53 4.82 3.90 3.51 3.33 3.20 3.13 2.95 2.51 2.47 2.40 2.26 2.09 2.02 1.84 1.82 1.82 1.54 1.49 1.35 1.26 -1.14 1.07 1.07 -1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 1 2 1 3 2 3 3 3 3 2 1 2 2 2 1 2 1 3 2 2 1 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S D:yz S D:yz S S S S S S S D:x2-y2 S P:z S D:yz S D:x2-y2 S S S P:y D:yz P:z D:xy D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.232 -4.492 -5.688 -4.492 1.232 -5.688 1.232 1.232 1.232 1.232 -5.688 -4.492 -5.688 -0.436 -5.688 -4.492 -5.688 -4.492 0.215 -2.078 -2.078 -9.089 -4.492 2.224 -4.492 -4.492 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.80 2.00 0.80 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.80 2.00 0.00 2.00 0.80 2.00 0.80 0.00 1.00 1.00 1.33 0.80 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">17 11 17 6 10 13 13 16 1 4 10 13 16 109 4 9 1 11 108 109 108 88 14 107 8 14 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W Cs W W W W Cs Cs Cs O W P W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">501</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.29 3.85 3.47 2.85 2.33 2.18 2.15 2.13 2.11 2.04 1.96 1.92 1.86 1.85 1.78 1.75 1.55 1.51 1.47 1.43 1.40 1.36 1.18 1.16 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 3 2 1 3 1 3 2 2 2 1 2 3 1 1 3 2 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:x2-y2 D:x2-y2 D:yz D:xy S S D:z2 S D:yz S S S S D:z2 S S D:x2-y2 P:y S S P:x P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 1.232 -5.688 -4.492 1.232 -4.492 1.232 -5.688 -5.688 -5.688 -4.492 -5.688 1.232 -4.492 -9.089 1.232 -5.688 -9.089 -9.089 -9.089 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.00 2.00 0.80 0.00 0.80 0.00 2.00 2.00 2.00 0.80 2.00 0.00 0.80 1.33 0.00 2.00 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 16 3 1 19 18 10 10 4 11 4 6 11 4 6 18 19 4 19 46 15 15 30 85 41 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W W W W W W W O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.770</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">502</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">4.51 3.48 3.43 3.25 2.66 2.25 2.21 2.02 2.01 1.97 1.97 1.96 1.82 1.75 1.66 1.61 1.57 1.56 1.52 1.49 1.33 1.21 1.21 1.14 1.10 1.09 1.06 1.06 1.06 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 3 3 1 2 2 1 1 1 1 1 2 3 1 3 3 2 2 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:z2 D:yz D:z2 D:xy D:yz D:xz D:x2-y2 D:x2-y2 D:yz S S D:z2 P:y P:z D:x2-y2 D:yz P:z P:y D:z2 P:x S D:x2-y2 S S P:y P:z D:x2-y2 P:x D:xz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 0.031 0.031 0.031 -4.492 0.031 0.031 0.215 0.215 0.031 -0.436 -0.436 -4.492 -4.492 -9.089 -9.089 -4.492 -0.436 1.232 -4.492 1.232 1.232 -0.504 -0.504 -4.492 -0.436 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 1.33 1.33 0.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">10 15 9 14 109 109 108 15 108 108 108 109 109 109 108 10 14 87 78 9 108 16 3 1 11 15 10 14 109 17 2 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W Cs Cs Cs W Cs Cs Cs Cs Cs Cs Cs W W O O W Cs W W W W W W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">14.01 11.83 3.11 2.85 2.75 2.71 2.70 2.39 2.39 2.35 2.26 2.18 1.93 1.83 1.83 1.80 1.78 1.60 1.56 1.38 1.30 1.19 1.19 1.14 1.13 1.11 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 2 3 3 2 2 3 3 3 2 2 2 3 3 3 2 3 2 1 2 3 1 2 2 2 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z S S S S S S S S S P:y P:x S S S P:z S S D:xz S S D:x2-y2 S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-0.436 -0.436 -5.688 0.215 1.232 -5.688 -5.688 1.232 0.215 1.232 -5.688 -0.436 -0.436 1.232 1.232 1.232 -0.436 1.232 -5.688 0.031 -5.688 1.232 0.031 -5.688 0.790 -5.688 0.790 1.232 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 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="29">108 109 8 108 8 19 4 19 109 4 13 109 109 13 6 11 108 12 12 109 11 5 108 6 103 5 101 20 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs Cs W Cs W W W W Cs W W Cs Cs W W W Cs W W Cs W W Cs W Tc W Tc W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">504</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.12 3.83 3.43 3.35 2.67 2.61 2.58 2.58 2.56 2.37 2.25 2.07 2.05 1.94 1.85 1.80 1.64 1.60 1.59 1.42 1.40 1.33 1.30 1.24 1.23 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 2 2 3 1 2 1 3 3 3 3 2 3 1 1 2 1 2 3 1 2 2 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S D:yz S D:yz S S S S S S D:yz D:x2-y2 S D:yz S S D:xz S S S P:y S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 -4.492 -5.688 -4.492 1.232 1.232 0.215 1.232 -5.688 1.232 -4.492 -4.492 -5.688 -4.492 -5.688 1.232 0.031 -5.688 -5.688 -5.688 -0.436 -5.688 0.215</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 2.00 2.00 0.00 0.80 2.00 0.80 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.80 2.00 0.80 2.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">13 7 7 13 12 16 12 1 8 4 109 5 8 20 11 11 5 6 4 19 109 20 16 6 108 1 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W Cs W W W W W W W W W Cs W W W Cs W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.853</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.38 2.96 2.77 2.67 2.62 2.58 2.41 2.33 1.97 1.77 1.74 1.62 1.34 1.31 1.19 1.08 1.06 1.05 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 3 3 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:yz D:z2 D:xz D:x2-y2 D:xz D:x2-y2 S S D:z2 D:yz P:z D:x2-y2 D:yz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 0.215 0.215 -4.492 -4.492 -9.089 -4.492 0.031 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.80 1.33 0.80 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">3 10 15 18 2 17 9 14 18 17 2 10 108 109 9 3 87 15 108 78 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W Cs Cs W W O W Cs O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">506</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.17 4.99 4.91 4.11 2.70 2.61 2.15 2.11 1.96 1.80 1.63 1.61 1.60 1.49 1.48 1.33 1.27 1.23 1.22 1.20 1.17 1.16 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 2 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:xy D:x2-y2 D:z2 D:z2 D:yz D:xz D:z2 D:xy D:xz D:z2 D:yz P:x S D:yz D:x2-y2 D:z2 P:y D:xy P:z P:y P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -5.688 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -0.504 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 2.00 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 8 11 11 8 6 12 6 6 8 14 9 93 12 14 13 10 62 12 62 70 8 61 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W O W W W W O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">507</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">8.38 5.96 5.41 5.10 3.81 2.98 2.60 2.54 2.35 2.34 2.13 1.69 1.62 1.60 1.59 1.53 1.31 1.30 1.22 1.17 1.14 1.11 1.10 1.07 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 2 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:xy D:x2-y2 D:xz D:xy D:xz D:xy P:x D:xz P:x P:x P:x P:x P:x P:y D:z2 D:yz P:y D:xz D:z2 D:x2-y2 D:x2-y2 P:z P:x S D:x2-y2 P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -0.504 -0.504 -9.089 -9.089 -4.492 -4.492 -0.504 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -24.020 -4.492 -9.089 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.00 0.00 1.33 1.33 0.80 0.80 0.00 0.80 0.80 0.80 0.80 1.33 1.33 2.00 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 12 7 7 7 12 8 64 13 91 23 13 7 92 54 15 13 12 8 12 11 12 23 76 60 6 54 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O W O O W W O O W W W W W 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">0.919</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">508</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.79 8.96 3.17 2.84 2.28 2.21 1.69 1.66 1.66 1.45 1.40 1.36 1.33 1.25 1.21 1.20 1.20 1.20 1.18 1.10 1.08 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 2 3 3 2 1 3 1 1 1 1 1 2 1 2 1 1 2 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S D:x2-y2 S D:x2-y2 D:xz D:x2-y2 D:xy S S D:xy S D:xz D:z2 P:y S D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 -5.688 1.232 1.232 -5.688 -4.492 1.232 -4.492 -4.492 0.031 -4.492 -5.054 -5.688 -4.492 -5.688 -4.492 0.031 -0.436 1.232 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.80 0.00 0.80 0.80 0.00 0.80 2.00 2.00 0.80 2.00 0.80 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">108 109 11 6 6 11 16 3 20 17 17 108 18 103 19 2 20 2 109 108 16 10 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs W W W W W W W W W Cs W Tc W W W W Cs Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.932</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.66 3.64 3.37 3.35 3.27 3.16 2.90 2.77 2.77 2.38 2.29 2.28 2.21 2.21 2.18 1.94 1.94 1.62 1.62 1.56 1.33 1.27 1.20 1.18 1.16 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 2 2 3 2 3 2 3 1 3 2 2 1 3 2 3 2 1 3 3 2 3 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S S D:yz S S S D:yz S S S S D:x2-y2 S S S S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 1.232 -4.492 1.232 -5.688 -5.688 -4.492 1.232 -5.688 1.232 -5.688 -4.492 1.232 1.232 -5.688 1.232 1.232 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 2.00 2.00 0.80 0.00 2.00 0.00 2.00 0.80 0.00 0.00 2.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 10 4 17 4 15 17 5 5 16 15 2 8 1 2 19 19 13 11 8 13 20 20 3 11 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W W W W W 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">0.963</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.66 6.64 6.23 3.20 3.08 2.87 2.43 2.30 2.21 2.17 1.94 1.89 1.86 1.84 1.76 1.47 1.47 1.35 1.34 1.30 1.23 1.17 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:yz D:z2 D:z2 D:x2-y2 P:y P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 P:y D:yz P:z P:y D:xy D:x2-y2 D:yz P:y P:z D:xz D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -0.504 -4.492 -9.089 -0.504 -4.492 -4.492 -4.492 -9.089 -0.504 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.00 0.80 1.33 0.00 0.80 0.80 0.80 1.33 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">5 19 20 19 5 47 79 50 19 16 1 19 16 21 5 16 3 5 36 20 19 17 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O O W W W W W O W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.12 4.98 4.56 4.26 3.17 3.07 2.78 2.68 2.42 2.25 2.23 2.05 2.01 1.98 1.85 1.79 1.72 1.61 1.42 1.34 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 P:z D:x2-y2 D:yz D:yz P:z P:z D:x2-y2 P:z D:z2 D:x2-y2 D:x2-y2 P:z D:xy D:xz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -0.504 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.00 0.80 1.33 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="22">4 4 20 1 20 1 41 16 1 16 33 4 4 36 16 3 5 21 18 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W O W W W O W W O 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">1.000</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.65 5.48 4.96 4.93 3.32 3.04 2.95 2.79 2.68 2.48 2.47 2.46 2.32 2.31 2.24 2.13 1.95 1.85 1.76 1.71 1.45 1.44 1.42 1.41 1.36 1.28 1.23 1.22 1.16 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 3 3 2 2 3 2 3 2 2 2 1 2 2 2 3 3 1 3 1 1 2 1 3 1 1 1 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S D:z2 S S S S S D:yz S D:yz D:xz S D:yz S D:x2-y2 D:xy D:xy S D:x2-y2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 1.232 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 -5.688 -5.688 0.031 -5.688 -5.688 -5.688 1.232 1.232 -4.492 1.232 0.031 -4.492 -5.688 -4.492 1.232 -4.492 0.031 -4.492 1.232 0.031 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 0.80 0.00 0.00 0.80 2.00 0.80 0.00 0.80 0.00 0.80 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">1 1 16 16 15 6 6 11 11 2 18 109 17 10 3 15 2 6 17 108 17 9 11 10 15 108 2 18 108 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W Cs W W W W W W W Cs W W W W W Cs W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">513</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.01 5.00 4.88 4.75 4.51 4.39 3.90 3.88 3.81 3.63 3.28 3.25 2.92 2.51 2.31 2.17 2.12 2.08 2.07 2.06 1.80 1.36 1.35 1.20 1.18 1.17 1.15 1.13 1.06 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 3 3 2 2 3 2 3 2 2 2 2 3 1 2 3 2 3 3 1 1 1 2 3 1 1 1 2 3 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 D:z2 S S S S S D:z2 D:x2-y2 D:yz S S D:x2-y2 D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 1.232 -4.492 -5.688 1.232 -5.688 1.232 1.232 0.031 -4.492 -4.492 -5.688 1.232 -4.492 0.031 -6.493 -5.688 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 0.80 2.00 0.00 2.00 0.00 0.00 0.00 0.80 0.80 2.00 0.00 0.80 0.00 1.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">14 9 18 3 18 3 14 8 9 19 20 5 4 8 4 12 5 13 20 12 108 19 19 6 13 9 109 104 7 7 19</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 Cs W W W W W Cs H W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.51 4.84 4.54 3.69 3.63 3.52 3.15 2.28 1.61 1.56 1.47 1.42 1.40 1.34 1.26 1.23 1.22 1.20 1.18 1.17 1.16 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 3 2 2 3 2 3 1 3 1 3 1 1 2 1 1 1 2 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z S P:z S S S S D:x2-y2 S D:yz S S D:yz P:x D:z2 D:yz D:xy S D:x2-y2 S S D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-0.436 0.215 -0.436 -5.688 1.232 -5.688 1.232 -4.492 1.232 -4.492 1.232 -6.493 -4.492 -0.436 0.031 -4.492 -4.492 0.790 -4.492 1.232 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 0.80 0.00 1.00 0.80 0.00 0.00 0.80 0.80 0.00 0.80 0.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">108 109 109 10 4 4 10 5 9 8 14 105 16 109 108 11 12 102 9 17 17 14 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs Cs W W W W W W W W H W Cs Cs 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">1.131</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.94 3.94 3.91 3.43 3.40 3.31 3.29 3.02 3.01 2.91 2.45 2.43 2.22 2.22 2.01 1.74 1.74 1.73 1.67 1.66 1.37 1.36 1.17 1.13 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 2 2 3 2 1 1 2 2 3 3 2 3 2 2 1 3 1 3 1 2 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y S P:y S S D:xz D:z2 S S S S S S P:x S D:x2-y2 S D:x2-y2 S D:yz S D:x2-y2 D:z2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-0.436 -5.688 -0.436 1.232 -5.688 -4.492 -4.492 -5.688 -5.688 0.215 1.232 -5.688 1.232 -0.436 -5.688 -4.492 1.232 -4.492 1.232 -4.492 -5.688 0.031 -4.492 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.00 0.00 2.00 0.80 0.80 2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 0.00 0.80 0.00 0.80 2.00 0.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 13 108 8 8 7 10 19 15 108 15 2 19 108 4 9 2 15 13 6 17 109 20 10 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs W Cs W W W W W W Cs W W W Cs W W W W W W W Cs W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.154</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">3.37 2.97 2.84 2.73 2.26 2.24 2.21 2.06 2.03 2.02 1.93 1.92 1.71 1.67 1.67 1.44 1.41 1.39 1.34 1.30 1.28 1.27 1.26 1.21 1.17 1.17 1.15 1.12 1.08 1.07 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 2 3 1 2 2 1 3 1 3 1 2 1 3 2 1 1 1 1 2 1 1 1 1 3 1 1 1 1 1 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:x2-y2 P:y S D:z2 S S D:xz S D:x2-y2 S D:z2 P:y D:yz S S D:x2-y2 D:x2-y2 D:z2 D:x2-y2 S D:yz D:xy D:x2-y2 P:z S D:yz D:xy P:x P:z D:xz S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -0.436 1.232 -4.492 -5.688 -5.688 -4.492 1.232 -4.492 0.215 -4.492 -0.436 -4.492 1.232 -5.688 -4.492 -4.492 0.031 0.031 -5.688 -4.492 -4.492 -4.492 -9.089 1.232 -4.492 -4.492 -9.089 -9.089 -4.492 1.232 -9.089 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.00 0.00 0.80 2.00 2.00 0.80 0.00 0.80 0.00 0.80 0.00 0.80 0.00 2.00 0.80 0.80 0.00 0.00 2.00 0.80 0.80 0.80 1.33 0.00 0.80 0.80 1.33 1.33 0.80 0.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">15 108 7 14 7 4 7 8 14 108 13 109 12 13 10 10 9 109 109 8 11 8 13 68 4 7 12 49 86 13 14 64 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W Cs W W W W W W W Cs W Cs W W W W W Cs Cs W W W W O W W W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.181</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">517</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.89 6.36 5.90 5.88 5.14 3.32 3.31 3.17 3.09 2.57 2.36 2.31 2.11 2.05 1.88 1.78 1.67 1.59 1.45 1.40 1.40 1.35 1.23 1.17 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 2 2 3 3 2 3 2 1 1 2 1 1 2 2 2 2 3 2 1 2 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S P:x D:xz D:x2-y2 S S D:z2 S P:y P:z S S S D:xy S D:yz P:x D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -5.688 1.232 1.232 -5.688 1.232 -0.436 0.031 -4.492 -5.688 -6.493 0.031 -5.688 -0.436 -0.436 -5.688 1.232 -5.688 0.031 -5.688 -4.492 -0.436 -4.492 0.215</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.80 2.00 1.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.80 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 4 2 5 5 2 14 14 108 108 5 8 105 109 13 108 109 6 8 1 108 3 6 109 3 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W Cs Cs W W H Cs W Cs Cs W W W Cs W W Cs W Cs</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">518</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">9.08 8.04 5.36 4.67 4.08 3.83 3.77 3.39 2.83 2.31 2.26 2.23 1.98 1.82 1.76 1.72 1.58 1.57 1.44 1.44 1.44 -1.43 1.41 1.34 1.33 1.30 1.28 -1.26 1.25 -1.12 1.10 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">2 3 2 3 3 2 2 2 3 3 2 2 2 1 2 2 2 3 3 3 2 2 2 3 2 3 3 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S S S S S S D:x2-y2 S S S S S S P:x S P:z S S S S S D:z2 S S D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 1.232 1.232 -5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -5.688 -4.492 -5.688 -5.688 -5.688 1.232 1.232 1.232 -0.436 0.790 -0.436 1.232 -5.688 0.215 1.232 -5.054 -4.492 -5.054 -5.688 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">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 0.80 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 2.00 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">20 20 19 19 9 17 9 7 7 12 11 12 13 4 18 8 1 17 18 3 109 101 109 13 5 108 14 101 20 103 14 108 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W W W W W W W W W W W Cs Tc Cs W W Cs W Tc W Tc W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.217</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="40">4.38 4.35 4.14 3.98 3.61 3.46 3.08 2.88 2.84 2.63 2.52 2.47 2.38 2.04 1.92 1.88 1.88 1.87 1.85 1.83 1.70 1.64 1.56 1.41 1.39 -1.35 1.33 1.31 1.31 1.23 -1.22 1.21 1.21 1.10 1.10 1.06 1.06 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">3 2 2 2 3 2 1 3 2 3 2 3 1 2 3 1 1 2 3 2 1 3 3 2 2 2 1 2 1 1 2 3 3 1 2 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">S S S S S S S S S S S S S S S D:z2 D:xy S S S S S S S S S D:xy P:z D:yz D:xz P:x S S D:z2 S D:z2 D:xy S D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">0.215 -5.688 -5.688 -5.688 1.232 -5.688 -5.054 1.232 -5.688 1.232 -5.688 1.232 -6.493 -5.688 1.232 0.031 0.031 -5.688 1.232 -5.688 -5.054 1.232 1.232 0.790 -5.688 0.790 -4.492 -0.436 -4.492 0.031 2.224 1.232 1.232 -4.492 2.471 -4.492 -4.492 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">0.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 1.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">109 12 10 7 19 19 103 13 16 12 15 10 104 13 18 108 109 17 5 1 101 7 17 100 5 103 12 109 18 108 107 15 3 10 104 20 18 18 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">Cs W W W W W Tc W W W W W H W W Cs Cs W W W Tc W W Tc W Tc W Cs W Cs P W W W H W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.15 6.88 3.97 3.93 3.25 2.59 2.58 1.99 1.96 1.80 1.65 1.64 1.50 1.45 1.45 1.42 1.32 1.23 1.22 1.17 1.17 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 3 1 2 1 3 1 1 1 1 1 3 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S D:x2-y2 S D:xz S D:yz D:z2 D:yz D:yz D:yz S P:y D:yz D:x2-y2 P:x D:z2 D:yz D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 1.232 -4.492 -5.688 -4.492 1.232 -4.492 -4.492 -4.492 0.031 -4.492 1.232 -9.089 -4.492 -4.492 -0.436 0.031 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 0.00 0.80 2.00 0.80 0.00 0.80 0.80 0.80 0.00 0.80 0.00 1.33 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="23">109 108 2 2 19 17 17 17 16 4 19 108 17 18 79 18 16 108 108 2 18 19 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs W W W W W W W W W Cs W W O W W Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">521</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.09 6.25 4.95 4.59 3.51 3.07 2.72 2.53 2.16 1.93 1.81 1.58 1.54 1.45 1.42 1.38 1.36 1.33 1.32 1.18 1.17 1.14 1.12 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 2 3 2 1 3 1 1 1 1 2 1 2 3 3 3 1 2 1 1 2 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S D:x2-y2 S D:x2-y2 D:z2 D:xz D:yz S D:x2-y2 S S S S D:yz S D:z2 D:yz S D:yz S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 1.232 -5.688 -4.492 1.232 -4.492 -4.492 0.031 -4.492 -5.688 -4.492 -5.688 1.232 1.232 1.232 -4.492 -5.688 -4.492 -4.492 -5.688 -4.492 1.232 -4.492 -6.493</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 0.00 2.00 0.80 0.00 0.80 0.80 0.00 0.80 2.00 0.80 2.00 0.00 0.00 0.00 0.80 2.00 0.80 0.80 2.00 0.80 0.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">109 108 10 10 15 5 3 4 4 109 11 3 15 2 15 2 8 3 8 3 2 6 1 19 13 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs W W W W W W W Cs W W W W W W W W W W W W W W W H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.276</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">522</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">14.84 8.97 7.01 5.97 4.49 3.91 2.21 2.12 1.72 1.66 1.66 1.54 -1.28 1.27 1.24 1.23 1.22 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">3 3 2 3 2 3 3 1 2 2 2 2 2 1 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S D:z2 S S P:z S S D:x2-y2 D:z2 D:xy D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 1.232 -5.688 1.232 1.232 -4.492 -5.688 -5.688 -0.436 -5.688 -2.078 -4.492 -4.492 -4.492 0.031 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.80 2.00 2.00 0.00 2.00 1.00 0.80 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">108 109 15 15 17 17 13 20 20 12 108 13 109 14 14 12 109 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs Cs W W W W W W W W Cs W Cs W W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.318</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.66 5.71 5.00 4.07 3.51 3.47 3.15 2.69 2.52 2.30 2.20 2.11 2.11 2.07 2.07 2.06 1.99 1.97 1.92 1.83 1.79 1.59 1.57 1.56 1.44 1.41 1.37 1.37 1.36 1.31 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 1 2 1 1 2 2 2 2 2 3 3 3 2 3 2 3 2 2 2 1 1 2 2 3 1 1 1 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y D:yz P:z D:xy D:yz S S S S S S S S S S S S P:x S S D:yz D:xz S S S D:xy D:x2-y2 D:yz S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-0.436 0.031 -0.436 0.031 0.031 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 -5.688 1.232 -5.688 1.232 -0.436 -5.688 -5.688 -4.492 0.031 -5.688 -5.688 1.232 0.031 0.031 -4.492 -5.688 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.80 0.00 2.00 2.00 0.00 0.00 0.00 0.80 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">108 109 109 109 108 7 5 12 19 13 7 19 5 11 12 20 13 109 1 4 6 108 8 16 4 108 108 11 6 20 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Cs Cs Cs Cs Cs W W W W W W W W W W W W Cs W W W Cs W W W Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">15.02 14.00 8.61 3.93 2.49 2.44 2.29 2.25 2.05 1.79 1.37 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 2 1 1 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:yz D:yz D:xy D:xy S S D:x2-y2 D:xz S S S D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 -5.054 0.790 0.031 0.031 0.790 -5.054 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">108 109 108 109 103 101 109 109 103 101 16 7 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Cs Cs Cs Cs Tc Tc Cs Cs Tc Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.502</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.38 4.73 4.62 4.06 2.89 2.66 2.64 2.61 2.50 2.30 2.20 2.01 1.82 1.68 1.67 1.57 1.56 1.44 1.28 1.22 1.21 1.20 1.14 1.12 1.09 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 2 2 2 2 3 1 1 3 1 1 1 2 1 2 3 1 3 1 2 2 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:x2-y2 S S S S S P:y D:xz S P:z D:xy D:z2 S D:z2 S S D:yz S D:yz S S D:xz D:x2-y2 D:x2-y2 P:y S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -5.688 -5.688 -5.688 -5.688 1.232 -9.089 -4.492 1.232 -9.089 -4.492 -4.492 -5.688 -4.492 -5.688 1.232 -4.492 1.232 -4.492 -5.688 -5.688 -4.492 -4.492 -4.492 -9.089 0.215 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 2.00 2.00 2.00 2.00 0.00 1.33 0.80 0.00 1.33 0.80 0.80 2.00 0.80 2.00 0.00 0.80 0.00 0.80 2.00 2.00 0.80 0.80 0.80 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">10 15 1 16 11 6 1 78 17 16 87 2 14 19 15 4 11 9 6 15 8 13 10 13 9 58 108 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O W W O W W W W W W W W W W W W W W O Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.543</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">526</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">5.07 3.83 3.48 3.11 2.79 2.68 2.64 2.45 2.23 2.11 2.03 1.98 1.96 1.87 1.84 1.81 1.79 1.62 1.55 1.51 1.33 1.29 1.28 1.27 1.21 1.19 1.16 1.10 1.10 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 2 2 2 2 2 3 2 2 1 1 1 3 1 1 3 1 1 2 3 3 1 1 3 1 2 1 1 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:x2-y2 D:xz S D:x2-y2 D:xy S D:xy D:x2-y2 S S S D:z2 D:x2-y2 S D:yz S D:yz D:xz D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 0.031 0.031 -4.492 1.232 -4.492 -4.492 1.232 -4.492 0.031 -5.688 1.232 1.232 -4.492 -4.492 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.80 0.00 0.80 0.80 0.00 0.80 0.00 2.00 0.00 0.00 0.80 0.80 0.00 0.80 2.00 0.80 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">18 6 14 15 11 17 2 2 3 10 108 109 17 15 3 2 17 18 108 9 11 10 4 19 6 6 1 9 7 14 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W Cs Cs W W W W W W Cs W W W W W W W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.16 5.64 5.29 4.56 4.17 3.97 2.53 2.33 2.27 2.27 1.81 1.71 1.68 1.68 1.68 1.67 1.54 1.45 1.40 1.29 1.27 1.20 1.16 1.12 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:yz D:z2 D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:yz D:yz D:yz P:z D:z2 D:xz D:yz D:z2 P:y D:z2 P:z D:xz D:x2-y2 P:y S D:xy P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -4.492 0.031 -4.492 -4.492 -4.492 -4.492 -4.492 -0.436 -4.492 -4.492 -4.492 -4.492 -0.436 -4.492 -0.436 -4.492 -4.492 -0.436 -5.688 0.031 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 0.00 2.00 0.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 108 109 10 109 14 15 12 13 8 108 9 15 7 7 108 13 109 8 9 109 9 109 66 82 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs Cs W Cs W W W W W Cs W W W W Cs W Cs W W Cs W Cs O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.601</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.63 3.94 3.94 3.77 3.75 3.66 3.19 2.72 2.63 2.49 2.42 2.25 2.17 1.91 1.85 1.84 1.63 1.48 1.36 1.29 1.17 1.10 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 3 1 3 1 3 3 1 2 2 1 2 1 1 2 2 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz S D:xy S D:z2 S S D:xy S S D:z2 S D:x2-y2 D:x2-y2 S S S D:z2 P:y P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 1.232 -4.492 1.232 -4.492 1.232 1.232 0.031 -5.688 -5.688 0.031 -5.688 -4.492 -4.492 -5.688 -5.688 -5.688 -4.492 -9.089 -9.089 -9.089 -5.485 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.00 0.80 0.00 0.80 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.80 0.80 2.00 2.00 2.00 0.80 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">17 9 2 3 10 14 18 109 14 9 108 16 17 15 1 3 18 2 43 87 78 107 84 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W Cs W W Cs W W W W W W W O O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.620</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.25 6.11 4.52 4.40 3.83 3.18 3.00 2.98 2.84 2.35 1.76 1.52 1.50 1.45 1.38 1.26 1.25 1.20 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy D:z2 D:xz P:x D:xz D:xy P:x D:x2-y2 D:x2-y2 D:yz D:yz D:x2-y2 D:yz D:x2-y2 D:xz D:yz D:yz S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.031 0.031 0.031 -0.436 0.031 0.031 -0.436 -4.492 0.031 -4.492 -4.492 0.031 -4.492 -4.492 -4.492 0.031 -4.492 -5.688 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.00 0.80 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">108 109 109 109 108 109 108 4 109 3 18 108 2 19 18 109 17 9 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Cs Cs Cs Cs Cs Cs Cs W Cs W W Cs W W W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">530</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">4.90 4.17 4.16 3.91 3.39 3.12 2.66 2.45 2.44 2.44 2.22 2.03 2.02 1.92 1.82 1.71 1.65 1.62 1.61 1.61 1.42 1.38 1.31 1.25 1.20 1.19 1.16 1.07 1.06 1.04 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 2 1 1 3 2 2 2 1 3 1 3 2 3 1 2 2 2 1 1 1 1 2 3 1 1 2 1 2 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:xy D:xz S D:x2-y2 D:z2 S S S S D:xy S D:x2-y2 S P:x S D:z2 S S S P:y D:yz P:y D:z2 S S P:x P:y S P:z S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -5.688 -4.492 -4.492 1.232 -5.688 -5.688 -5.688 0.031 1.232 -4.492 1.232 -0.436 1.232 -4.492 -5.688 -5.688 -5.688 -9.089 -4.492 -9.089 0.031 -5.688 1.232 -9.089 -9.089 -5.688 -9.089 -5.688 -5.688 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 2.00 0.80 0.80 0.00 2.00 2.00 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 2.00 2.00 2.00 1.33 0.80 1.33 0.00 2.00 0.00 1.33 1.33 2.00 1.33 2.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">12 7 15 5 20 8 8 17 2 108 13 7 15 109 19 12 10 5 20 54 12 47 108 19 2 23 69 13 21 12 7 4 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W Cs W W W Cs W W W W W O W O Cs W W O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.93 3.38 2.54 2.38 2.35 2.34 2.14 2.06 2.03 1.89 1.86 1.74 1.69 1.66 1.47 1.45 1.40 1.35 1.34 1.26 1.26 1.25 1.24 1.23 1.23 1.21 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 3 2 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:x2-y2 D:yz S D:z2 D:x2-y2 S D:yz D:x2-y2 D:yz D:yz D:yz D:xy D:xz D:z2 D:xz D:z2 S S S D:z2 P:z D:x2-y2 D:x2-y2 D:xz P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">0.031 -4.492 -4.492 -5.688 0.031 -4.492 -5.688 -4.492 0.031 -4.492 -4.492 0.031 0.031 -4.492 -4.492 -4.492 -4.492 -5.688 1.232 -5.688 -4.492 -0.436 -4.492 -4.492 -4.492 -9.089 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.80 0.80 2.00 0.00 0.80 2.00 0.80 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 2.00 0.00 2.00 0.80 0.00 0.80 0.80 0.80 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">109 20 2 6 108 10 11 17 108 7 12 108 109 2 5 5 20 10 10 14 17 109 4 15 12 44 2 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs W W W Cs W W W Cs W W Cs Cs W W W W W W W W Cs W W W O W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.655</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">14.77 12.60 10.89 10.52 5.84 5.79 5.11 5.06 4.99 4.74 -4.31 -3.92 3.71 3.02 -2.69 1.54 1.51 1.37 1.23 1.20 1.05 -1.03 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 2 2 2 3 3 1 3 1 3 2 2 2 1 2 1 2 1 1 3 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S D:xz S D:xy S S S S S P:x S S D:z2 S S S P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 1.232 0.031 1.232 0.031 1.232 -2.078 -2.078 0.790 -5.054 2.224 -14.028 0.790 -4.492 -14.028 1.232 -6.493 2.224 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.00 0.00 2.00 0.00 2.00 0.00 0.80 2.00 0.00 1.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">3 18 14 9 3 18 109 14 108 9 109 108 103 103 106 107 101 4 106 17 105 107 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W Cs W Cs W Cs Cs Tc Tc P P Tc W P W H P Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.705</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.10 3.79 3.70 3.02 2.94 2.66 2.59 2.42 2.19 2.16 2.03 2.02 1.99 1.88 1.60 1.52 1.37 1.12 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 3 1 2 2 3 3 2 1 3 1 3 1 1 1 3 3 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 S D:x2-y2 S S S S S D:xz S D:xz S P:y D:xy P:z S S D:x2-y2 D:xy D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 0.215 -4.492 -5.688 -5.688 1.232 1.232 -5.688 0.031 0.215 -4.492 1.232 -9.089 -4.492 -9.089 1.232 1.232 -4.492 0.031 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.00 0.80 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 1.33 0.80 1.33 0.00 0.00 0.80 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">20 109 5 7 12 12 19 6 109 108 7 7 47 12 21 6 4 13 108 5 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W Cs W W W W W W Cs Cs W W O W O W W W Cs 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">534</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.04 6.35 4.27 3.71 3.64 3.58 3.13 2.99 2.62 2.07 1.99 1.87 1.72 1.65 1.56 1.51 1.49 1.46 1.44 1.37 1.23 1.22 1.17 1.15 1.09 1.08 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 1 1 1 2 2 3 1 3 1 2 2 2 3 1 2 1 3 2 1 1 1 3 2 1 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y D:xz D:x2-y2 D:z2 S P:x S D:yz S D:yz P:z P:x P:y S D:x2-y2 S D:xy S S D:x2-y2 D:x2-y2 D:yz S S S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-0.436 0.031 0.031 0.031 -5.688 -0.436 0.215 0.031 0.215 -4.492 -0.436 -0.436 -0.436 1.232 -4.492 -5.688 0.031 1.232 -5.688 -4.492 0.031 -4.492 1.232 -5.688 -6.493 -5.688 -4.492 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 2.00 0.00 0.00 2.00 0.80 0.00 0.80 0.00 2.00 1.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 108 109 109 1 108 108 108 109 2 109 109 109 1 20 9 109 11 11 5 108 1 6 6 105 3 2 2 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs Cs Cs Cs W Cs Cs Cs Cs W Cs Cs Cs W W W Cs W W W Cs 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">1.753</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.74 8.82 6.16 5.70 5.26 3.87 3.62 3.21 3.15 3.11 2.99 2.89 2.66 2.14 1.73 1.72 1.53 1.34 1.30 -1.30 1.17 1.17 1.12 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 2 1 1 2 2 2 2 2 3 2 2 2 2 1 3 2 3 2 1 2 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:yz P:z D:xy D:xy S S P:z P:y S S S P:y S P:x D:x2-y2 S S S S D:z2 S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 0.031 -0.436 0.031 0.031 -5.688 -5.688 -0.436 -0.436 -5.688 0.215 -5.688 -0.436 -5.688 -0.436 -4.492 1.232 -5.688 1.232 -2.078 0.031 -5.688 0.031 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 2.00 0.00 1.00 0.00 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 108 109 109 108 16 5 108 108 19 108 20 109 4 109 5 16 1 13 108 108 13 109 4 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs Cs Cs Cs Cs W W Cs Cs W Cs W Cs W Cs W W W W Cs Cs W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.05 9.49 8.50 8.19 6.18 4.81 4.31 3.16 3.02 2.41 2.29 1.92 1.81 1.73 1.58 1.45 1.43 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">2 2 2 2 3 3 3 3 2 2 2 2 1 2 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S D:yz S D:yz D:yz S D:yz D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -4.492 -5.688 -4.492 -4.492 -5.688 -4.492 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80 2.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">7 5 12 20 5 20 7 12 11 6 16 8 16 13 1 19 1 4 109 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W W W W W W W W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.43 4.71 2.70 2.66 2.58 2.53 2.19 2.01 1.83 1.77 1.67 1.64 1.62 1.60 1.44 1.44 1.37 1.34 1.34 1.29 1.28 1.28 1.23 1.15 1.14 1.11 1.10 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 3 1 1 1 1 3 1 2 3 1 1 1 1 1 1 1 1 1 1 2 1 1 3 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S D:yz D:yz D:yz S S D:x2-y2 P:y S D:yz D:xy D:xz P:y D:yz D:x2-y2 P:y P:z P:y D:yz P:y D:z2 P:z S P:z P:y S D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.232 1.232 0.031 -4.492 -4.492 -5.054 0.215 -4.492 -0.436 0.215 0.031 0.031 -4.492 -9.089 -4.492 -4.492 -9.089 -5.485 -5.485 -4.492 -0.436 -4.492 -9.089 1.232 -9.089 -9.089 -5.054 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.80 0.80 2.00 0.00 0.80 0.00 0.00 0.00 0.00 0.80 1.33 0.80 0.80 1.33 1.00 1.00 0.80 0.00 0.80 1.33 0.00 1.33 1.33 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">11 6 108 6 11 103 109 14 109 108 109 109 8 88 16 11 66 107 107 1 108 9 97 1 77 61 101 13 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W Cs W W Tc Cs W Cs Cs Cs Cs W O W W O P P W Cs W O W O O Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.906</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">538</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.19 4.00 3.92 3.52 3.32 3.24 2.94 2.48 2.13 1.91 1.85 1.83 1.74 1.71 1.67 1.61 1.60 1.40 1.39 -1.34 1.26 1.22 1.21 1.10 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 3 1 1 3 1 1 1 2 3 3 1 1 1 3 1 1 1 2 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S D:yz S D:yz D:z2 D:x2-y2 S S S P:z P:y P:y S D:yz D:xz P:z S D:yz D:yz D:xz D:xz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-6.493 -5.054 1.232 -5.054 -4.492 1.232 -4.492 -4.492 -4.492 2.471 1.232 1.232 -9.089 -9.089 -5.485 1.232 -4.492 -4.492 -5.485 -2.078 -4.492 -4.492 0.031 -4.492 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.00 2.00 0.00 2.00 0.80 0.00 0.80 0.80 0.80 0.00 0.00 0.00 1.33 1.33 1.00 0.00 0.80 0.80 1.00 1.00 0.80 0.80 0.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">105 100 16 101 16 1 1 19 4 105 6 11 51 32 106 18 18 18 106 109 6 3 109 2 5 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">H Tc W Tc W W W W W H W W O O P W W W P Cs W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">539</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.76 4.44 3.87 3.11 2.99 2.82 2.78 2.61 2.60 2.59 2.39 2.34 1.75 1.72 -1.72 1.63 1.62 1.61 1.60 1.54 1.44 1.34 1.28 1.16 1.15 1.15 1.09 1.07 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 1 3 3 1 1 2 1 3 3 2 1 2 1 1 3 1 1 2 1 1 3 1 3 3 2 2 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S P:x S S D:yz D:x2-y2 S D:x2-y2 S S S D:x2-y2 S S P:x S D:z2 D:x2-y2 S D:x2-y2 D:yz S D:xz S S S S D:xy S D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">0.790 -5.485 0.215 1.232 0.031 -4.492 -5.688 -4.492 1.232 1.232 -5.688 -4.492 -5.688 -6.493 -0.773 1.232 0.031 -4.492 -5.688 -4.492 0.031 1.232 -4.492 1.232 1.232 0.790 -5.688 -4.492 0.790 0.031 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 1.00 0.00 0.00 0.00 0.80 2.00 0.80 0.00 0.00 2.00 0.80 2.00 1.00 0.00 0.00 0.00 0.80 2.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 2.00 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">102 107 109 9 108 15 3 11 14 15 20 10 14 104 103 10 109 9 9 6 109 3 15 12 6 100 5 8 103 109 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc P Cs W Cs W W W W W W W W H Tc W Cs W W W Cs W W W W Tc W W Tc Cs 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">540</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">12.23 5.54 3.93 3.63 3.52 3.36 2.84 2.74 2.48 2.43 2.25 2.02 2.01 1.94 1.69 1.64 1.64 1.59 1.54 -1.51 1.48 1.42 1.28 1.28 1.22 1.12 1.12 1.11 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 2 1 3 1 2 1 2 1 2 1 2 1 1 1 1 1 2 3 1 1 1 1 1 2 3 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S P:z D:x2-y2 S D:xy S D:x2-y2 P:z S S D:x2-y2 S P:x D:z2 D:x2-y2 D:x2-y2 D:yz S S S D:x2-y2 D:xy D:z2 S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 1.232 -0.436 0.031 0.215 0.031 0.790 0.031 -0.436 -6.493 -5.688 -4.492 -5.688 -5.485 0.031 -4.492 -4.492 0.031 -2.078 1.232 -5.054 -4.492 0.031 0.031 -6.493 -5.688 1.232 -5.688 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.80 2.00 1.00 0.00 0.80 0.80 0.00 1.00 0.00 2.00 0.80 0.00 0.00 1.00 2.00 0.00 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">18 18 108 108 108 108 100 109 109 105 3 3 9 106 109 1 20 109 108 3 103 5 109 108 104 12 17 2 12 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Cs Cs Cs Cs Tc Cs Cs H W W W P Cs W W Cs Cs W Tc W Cs Cs H W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.038</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">541</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.34 6.24 5.14 3.66 3.60 3.28 2.93 2.47 2.44 2.36 2.32 2.31 2.07 1.94 1.75 1.66 1.66 1.59 1.55 1.54 -1.40 1.37 1.35 1.34 1.28 1.27 1.19 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 2 2 2 2 1 1 3 2 3 1 2 3 1 1 3 1 2 2 1 3 3 3 1 1 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xz S S S S D:xy D:x2-y2 S P:y S S S S D:xy P:x S D:z2 P:x S D:z2 S S S D:x2-y2 D:z2 P:x D:xy D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">0.031 -5.688 -5.688 0.790 -5.688 0.031 0.031 1.232 -0.436 0.215 -6.493 -5.688 1.232 -4.492 -5.485 0.215 0.031 -0.436 -5.688 0.031 1.232 1.232 1.232 -4.492 -4.492 -0.436 0.031 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 0.80 1.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 9 14 100 3 108 109 1 109 109 105 1 9 18 106 108 109 108 17 108 14 2 5 20 14 109 109 5 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs W W Tc W Cs Cs W Cs Cs H W W W P Cs Cs Cs W Cs W W W W W Cs Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.079</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.15 9.31 5.27 5.12 -4.90 4.76 4.28 4.04 3.86 3.67 3.33 -3.17 2.62 2.40 2.40 2.30 2.11 2.05 1.93 -1.68 1.56 1.49 1.12 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 2 2 2 2 2 3 2 1 3 2 3 3 1 3 1 2 1 2 3 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S S S S S S S S S S S S P:y S S D:x2-y2 D:xz P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 0.215 -5.688 -5.688 -2.078 -5.688 -5.688 1.232 0.790 -5.054 1.232 -2.078 1.232 1.232 -6.493 1.232 -5.054 0.790 -5.054 -0.436 1.232 -5.688 0.031 0.031 -0.436 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 0.00 2.00 2.00 1.00 2.00 2.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 1.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">14 108 3 18 109 9 12 9 100 103 12 108 1 3 104 18 102 101 101 109 14 5 108 108 108 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W Cs W W Cs W W W Tc Tc W Cs W W H W Tc Tc Tc Cs W W Cs Cs Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.68 6.81 6.28 5.32 4.92 4.79 4.15 3.09 2.43 2.42 2.38 -2.25 2.08 2.04 1.91 1.78 1.73 1.54 1.21 1.18 1.09 1.09 1.05 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 1 1 2 1 3 2 3 3 2 2 2 3 2 3 1 1 1 1 1 1 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S D:z2 D:xy S D:xz S P:x S S S S S S S S D:yz P:x D:x2-y2 D:x2-y2 D:xz D:z2 S S D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 1.232 0.031 0.031 -5.688 0.031 1.232 -0.436 0.215 1.232 -5.688 -2.078 -5.688 1.232 0.790 1.232 0.031 -5.485 -4.492 0.031 -4.492 -4.492 -5.688 0.790 4.055 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 1.00 2.00 0.00 0.00 0.00 0.00 1.00 0.80 0.00 0.80 0.80 2.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 3 109 108 18 109 20 109 109 17 16 108 20 16 100 4 108 106 1 109 17 20 2 101 4 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Cs Cs W Cs W Cs Cs W W Cs W W Tc W Cs P W Cs W W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.130</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">544</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.39 8.10 7.91 6.82 5.76 5.05 -4.94 4.35 4.22 3.49 -3.02 2.82 2.44 2.04 1.85 1.82 1.78 1.59 1.57 1.53 1.48 1.33 1.18 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 2 3 1 3 2 2 2 1 2 2 1 3 1 2 1 3 1 1 2 2 2 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S D:z2 P:y P:z D:x2-y2 S D:x2-y2 S S S D:yz D:z2 S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.215 -5.688 1.232 -5.054 1.232 -5.688 -2.078 -5.688 0.031 -0.436 -0.436 0.031 1.232 0.031 0.790 -5.054 1.232 0.031 0.031 0.790 -5.688 0.790 1.232 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.00 2.00 0.00 2.00 1.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 14 14 103 7 9 108 7 109 109 108 109 10 108 103 101 13 108 108 100 6 101 6 10 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs W W Tc W W Cs W Cs Cs Cs Cs W Cs Tc Tc W Cs Cs Tc W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">2.256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">17.50 12.17 9.03 8.26 7.08 6.93 4.65 4.61 4.21 3.94 3.22 3.19 2.17 2.17 1.72 1.56 1.17 1.13 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S D:z2 S D:x2-y2 D:xy S D:yz S S D:x2-y2 S S S S P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-5.054 -5.054 -14.028 0.031 -14.028 0.031 0.031 0.790 0.031 -5.054 3.429 0.031 -6.493 3.429 -5.688 0.790 -0.436 -5.054 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 2.00 0.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">103 101 107 108 106 109 109 101 109 100 107 108 105 106 3 100 108 102 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc P Cs P Cs Cs Tc Cs Tc P Cs H P W Tc Cs Tc W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
