<?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">2025-08-08T10:16:05.000</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="-0.477663"
                        y3="5.871284"
                        z3="0.075252"/>
                  <atom elementType="W"
                        id="a2"
                        x3="2.859204"
                        y3="5.862137"
                        z3="1.746025"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.858153"
                        y3="3.465019"
                        z3="0.987583"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.004366"
                        y3="2.556564"
                        z3="-0.911248"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.245133"
                        y3="6.863017"
                        z3="3.730414"/>
                  <atom elementType="O"
                        id="a6"
                        x3="0.967606"
                        y3="4.687721"
                        z3="7.804310"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.751177"
                        y3="0.316250"
                        z3="4.891193"/>
                  <atom elementType="W"
                        id="a8"
                        x3="3.484271"
                        y3="2.480510"
                        z3="0.673810"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-13.750379"
                        y3="8.406581"
                        z3="11.108429"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.532118"
                        y3="4.463340"
                        z3="4.587620"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.776029"
                        y3="5.635950"
                        z3="11.051596"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.324666"
                        y3="3.441516"
                        z3="2.640818"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.658278"
                        y3="6.620178"
                        z3="2.985337"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.594935"
                        y3="6.269764"
                        z3="5.405765"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.864820"
                        y3="2.586476"
                        z3="-0.607077"/>
                  <atom elementType="O"
                        id="a16"
                        x3="3.960817"
                        y3="5.131799"
                        z3="3.188511"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.272201"
                        y3="5.135596"
                        z3="0.114814"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.536528"
                        y3="1.723505"
                        z3="1.826472"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.505981"
                        y3="3.350617"
                        z3="0.390190"/>
                  <atom elementType="O"
                        id="a20"
                        x3="1.450134"
                        y3="5.902215"
                        z3="0.427491"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.022481"
                        y3="4.460409"
                        z3="-1.244541"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.695116"
                        y3="6.638550"
                        z3="1.832786"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-3.140745"
                        y3="4.287677"
                        z3="2.628716"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.708470"
                        y3="4.372905"
                        z3="0.628300"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.173324"
                        y3="0.962611"
                        z3="0.192008"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.303517"
                        y3="4.349695"
                        z3="3.761631"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.379931"
                        y3="4.638892"
                        z3="5.308333"/>
                  <atom elementType="O"
                        id="a28"
                        x3="1.843868"
                        y3="3.729074"
                        z3="2.448862"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.955732"
                        y3="6.387867"
                        z3="4.315506"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.104852"
                        y3="1.910227"
                        z3="-2.531241"/>
                  <atom elementType="O"
                        id="a31"
                        x3="1.997174"
                        y3="2.734349"
                        z3="-0.489940"/>
                  <atom elementType="O"
                        id="a32"
                        x3="3.853850"
                        y3="7.212848"
                        z3="1.248335"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-1.343232"
                        y3="4.462972"
                        z3="6.226755"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.416408"
                        y3="3.716249"
                        z3="1.295429"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.691227"
                        y3="7.253490"
                        z3="-0.971612"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-8.055997"
                        y3="3.660097"
                        z3="10.713852"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-0.274519"
                        y3="8.600483"
                        z3="3.925825"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.138754"
                        y3="5.986577"
                        z3="10.013974"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.171805"
                        y3="4.234622"
                        z3="9.229539"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.139524"
                        y3="1.945832"
                        z3="3.048312"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.442337"
                        y3="3.168029"
                        z3="7.263493"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.095724"
                        y3="7.148852"
                        z3="12.087758"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-7.015115"
                        y3="6.042183"
                        z3="5.284938"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-8.960192"
                        y3="9.346558"
                        z3="6.281596"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.614136"
                        y3="2.487001"
                        z3="5.948912"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.582812"
                        y3="8.726848"
                        z3="7.889621"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.489892"
                        y3="-0.316208"
                        z3="3.493158"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.757019"
                        y3="1.771145"
                        z3="4.532948"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.633985"
                        y3="7.178427"
                        z3="6.912415"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.901318"
                        y3="6.084123"
                        z3="4.980243"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.900418"
                        y3="5.578990"
                        z3="2.465569"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.543881"
                        y3="9.873062"
                        z3="9.971793"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.402943"
                        y3="-0.176151"
                        z3="3.873032"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.488927"
                        y3="10.063056"
                        z3="7.617003"/>
                  <atom elementType="W"
                        id="a55"
                        x3="-11.352291"
                        y3="7.756444"
                        z3="10.685805"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.388554"
                        y3="4.299856"
                        z3="5.283008"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.562805"
                        y3="5.254159"
                        z3="8.362794"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.429464"
                        y3="6.544134"
                        z3="8.538060"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-6.798046"
                        y3="9.504993"
                        z3="9.283296"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.046943"
                        y3="9.058872"
                        z3="11.679955"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.848190"
                        y3="6.422006"
                        z3="5.340139"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.711118"
                        y3="7.786711"
                        z3="9.372904"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-10.874672"
                        y3="8.912684"
                        z3="6.412527"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.631775"
                        y3="5.473279"
                        z3="7.816987"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.671677"
                        y3="3.849186"
                        z3="7.021599"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.304326"
                        y3="7.358321"
                        z3="6.442389"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-8.315534"
                        y3="1.638836"
                        z3="6.411220"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.799822"
                        y3="8.078636"
                        z3="4.845854"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.156690"
                        y3="9.939351"
                        z3="8.143451"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.745917"
                        y3="7.920890"
                        z3="8.851270"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-4.911322"
                        y3="7.428525"
                        z3="6.674791"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.109036"
                        y3="0.851490"
                        z3="5.051770"/>
                  <atom elementType="W"
                        id="a73"
                        x3="3.625155"
                        y3="3.450366"
                        z3="4.134748"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-2.057068"
                        y3="0.902628"
                        z3="3.537836"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.816363"
                        y3="-0.076761"
                        z3="1.696721"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.525274"
                        y3="4.440025"
                        z3="6.130794"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-9.071582"
                        y3="4.387158"
                        z3="5.895215"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-8.843089"
                        y3="7.426570"
                        z3="9.754444"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.962446"
                        y3="8.224392"
                        z3="11.667391"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.875247"
                        y3="6.609511"
                        z3="8.298129"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.436971"
                        y3="9.444104"
                        z3="10.519231"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-0.944533"
                        y3="-0.360792"
                        z3="2.307832"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-5.052937"
                        y3="1.466995"
                        z3="6.098514"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.159019"
                        y3="7.058238"
                        z3="7.258957"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.670448"
                        y3="2.485363"
                        z3="11.949999"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.602361"
                        y3="5.532024"
                        z3="6.649660"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.470203"
                        y3="11.568397"
                        z3="10.393020"/>
                  <atom elementType="O"
                        id="a88"
                        x3="1.210619"
                        y3="-1.611040"
                        z3="0.960164"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.838987"
                        y3="5.065756"
                        z3="8.813621"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.426864"
                        y3="5.871443"
                        z3="10.433534"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.124467"
                        y3="7.407415"
                        z3="12.101356"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.570488"
                        y3="0.943789"
                        z3="1.284748"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.079745"
                        y3="3.339870"
                        z3="5.100654"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.644905"
                        y3="-0.161944"
                        z3="6.370019"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.957170"
                        y3="5.628222"
                        z3="3.285389"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.777997"
                        y3="7.183893"
                        z3="13.806728"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-9.008939"
                        y3="10.860832"
                        z3="5.409025"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.373899"
                        y3="6.911559"
                        z3="11.313685"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.308756"
                        y3="3.060394"
                        z3="7.974740"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.077390"
                        y3="9.155146"
                        z3="6.692861"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-10.011563"
                        y3="3.497203"
                        z3="10.628935"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.677971"
                        y3="3.404892"
                        z3="9.523849"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.569402"
                        y3="2.404978"
                        z3="4.499427"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.275722"
                        y3="2.583880"
                        z3="2.415921"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.330365"
                        y3="4.468506"
                        z3="10.352157"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.922138"
                        y3="2.603843"
                        z3="9.116947"/>
                  <atom elementType="O"
                        id="a107"
                        x3="4.960016"
                        y3="1.868996"
                        z3="-0.431961"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.420898"
                        y3="5.275677"
                        z3="11.776822"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.831195"
                        y3="0.992950"
                        z3="-0.857308"/>
               </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="H2Cs2O79P2Tc2W22"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5836.292776</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Cs.2O4P.2H2O.69O.2Tc.22W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+1/p-2/rCs2H2O79P2Tc2W22/c3-82-27-102(17)53-89(8)36-88(7)37-90(9,40-89)46-99-26-2-24-97-48-92(11)41-91(10)42-95(14,43-92)63-106(21)59-86(5)31-84(76(2)97)32-87(6,35-86)52-101(16,56-92,66-97)30-83(4,80(106)107(22,60-87,64-95,72-101)74-106)29-100(15,51-86,55-91,71-106)65-96(47-91,49-97)23-1(75(84)96)25-98(45-89,50-99,67-102)77(1)85(78(2)99,81(1,2)84)33-104(19,69-102)61-93(12,38-88,57-102)44-94(13,39-88)58-103(18,28-82,54-90,68-99)70-105(20,34-85,62-94,73-104)79(82)104/h7,14H">
                  <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;2;3;4;5;38;39;41;42;46;49;50;52;73;74;75;76;1;8;36;44;55;72/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OWHTcO1P4OOOOOOOOOOO3OOO3O4O1OO1OO1OOO1WO1WWOWWO3WOWOOWWCs5WOO1WOOP4OOOOOOO3O1OOOOOWWWWWOO3OO1OOCs5OO1TcO1O1OOOOO1O1OO1O1OOOOO1O3OOOOOH/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:-.4777,5.8713,.0753;2.8592,5.8621,1.746;-2.8582,3.465,.9876;.0044,2.5566,-.9112;-.2451,6.863,3.7304;.9676,4.6877,7.8043;-.7512,.3162,4.8912;3.4843,2.4805,.6738;-13.7504,8.4066,11.1084;-2.5321,4.4633,4.5876;-3.776,5.636,11.0516;.3247,3.4415,2.6408;1.6583,6.6202,2.9853;.5949,6.2698,5.4058;-1.8648,2.5865,-.6071;3.9608,5.1318,3.1885;-2.2722,5.1356,.1148;-2.5365,1.7235,1.8265;-4.506,3.3506,.3902;1.4501,5.9022,.4275;-.0225,4.4604,-1.2445;-.6951,6.6386,1.8328;-3.1407,4.2877,2.6287;3.7085,4.3729,.6283;.1733,.9626,.192;-.3035,4.3497,3.7616;-4.3799,4.6389,5.3083;1.8439,3.7291,2.4489;-1.9557,6.3879,4.3155;.1049,1.9102,-2.5312;1.9972,2.7343,-.4899;3.8538,7.2128,1.2483;-1.3432,4.463,6.2268;-.4164,3.7162,1.2954;-.6912,7.2535,-.9716;-8.056,3.6601,10.7139;-.2745,8.6005,3.9258;-5.1388,5.9866,10.014;-11.1718,4.2346,9.2295;.1395,1.9458,3.0483;-8.4423,3.168,7.2635;-8.0957,7.1489,12.0878;-7.0151,6.0422,5.2849;-8.9602,9.3466,6.2816;.6141,2.487,5.9489;-5.5828,8.7268,7.8896;1.4899,-.3162,3.4932;2.757,1.7711,4.5329;-11.634,7.1784,6.9124;-8.9013,6.0841,4.9802;-5.9004,5.579,2.4656;-8.5439,9.8731,9.9718;-3.4029,-.1762,3.873;-4.4889,10.0631,7.617;-11.3523,7.7564,10.6858;2.3886,4.2999,5.283;-4.5628,5.2542,8.3628;-8.4295,6.5441,8.5381;-6.798,9.505,9.2833;-8.0469,9.0589,11.68;-10.8482,6.422,5.3401;-4.7111,7.7867,9.3729;-10.8747,8.9127,6.4125;-11.6318,5.4733,7.817;-6.6717,3.8492,7.0216;-13.3043,7.3583,6.4424;-8.3155,1.6388,6.4112;-8.7998,8.0786,4.8459;-9.1567,9.9394,8.1435;-11.7459,7.9209,8.8513;-4.9113,7.4285,6.6748;1.109,.8515,5.0518;3.6252,3.4504,4.1347;-2.0571,.9026,3.5378;.8164,-.0768,1.6967;.5253,4.44,6.1308;-9.0716,4.3872,5.8952;-8.8431,7.4266,9.7544;-12.9624,8.2244,11.6674;-6.8752,6.6095,8.2981;-10.437,9.4441,10.5192;-.9445,-.3608,2.3078;-5.0529,1.467,6.0985;-9.159,7.0582,7.259;-7.6704,2.4854,11.95;-5.6024,5.532,6.6497;-8.4702,11.5684,10.393;1.2106,-1.611,.9602;-8.839,5.0658,8.8136;-11.4269,5.8714,10.4335;-10.1245,7.4074,12.1014;2.5705,.9438,1.2847;5.0797,3.3399,5.1007;1.6449,-.1619,6.37;-8.9572,5.6282,3.2854;-7.778,7.1839,13.8067;-9.0089,10.8608,5.409;-6.3739,6.9116,11.3137;-10.3088,3.0604,7.9747;-7.0774,9.1551,6.6929;-10.0116,3.4972,10.6289;-12.678,3.4049,9.5238;-2.5694,2.405,4.4994;4.2757,2.5839,2.4159;-6.3304,4.4685,10.3522;-7.9221,2.6038,9.1169;4.96,1.869,-.432;-8.4209,5.2757,11.7768;4.8312,.9929,-.8573;/R:/0/N:51,83,28,80,54,11,107,30,88,66,102,32,93,79,97,85,35,94,37,6,87,96,95,67,19,53,34,40,84,89,71,57,29,33,62,31,92,24,104,25,64,70,90,16,15,82,61,99,77,18,100,105,21,47,63,101,20,48,59,98,13,56,81,91,68,106,17,7,22,45,69,108,14,60,43,65,23,103,26,78,27,12,58,86,10,46,38,8,4,75,49,39,2,73,55,50,41,3,74,44,36,1,72,5,76,52,42/E:(1,2)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(36,37)(38,39)(42,43)(45,46)(47,48)(51,52)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(75,76)(77,78)(86,87)(89,90)(91,92)(93,94)(96,97)(98,99)(100,101)(102,103)(104,105)(106,107)/CRV:1.5,2.5,3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,75.3,76.3,77.3,78.3,79.3,80.3,81.4,82.4,83.4,84.5,85.5</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">3507.08016954</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">11351.66480294</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="21874" startLine="21872">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="21878" startLine="21876">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="21887" startLine="21880">
                     <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">        W 3.492232952422079 2.582497799802575 0.7753068350591024 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H -13.23464459944812 9.118355696674106 11.44773487944889 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">        W -11.23518333880781 7.785005376509357 10.69538416939726 adf.R=1.992</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 -12.96237753416944 8.224348522043323 11.66732954439598 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 4.959989692483605 1.868985753007918 -0.4319589646233299 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 5.191360213084437 0.9773253085455457 -0.1617565701519527 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -6</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 6</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">-6</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:spinPolarization">6</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="-0.477663"
                        y3="5.871284"
                        z3="0.075252"/>
                  <atom elementType="W"
                        id="a2"
                        x3="2.859204"
                        y3="5.862137"
                        z3="1.746025"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.858153"
                        y3="3.465019"
                        z3="0.987583"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.004366"
                        y3="2.556564"
                        z3="-0.911248"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.245133"
                        y3="6.863017"
                        z3="3.730414"/>
                  <atom elementType="O"
                        id="a6"
                        x3="0.967606"
                        y3="4.687721"
                        z3="7.804310"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.751177"
                        y3="0.316250"
                        z3="4.891193"/>
                  <atom elementType="W"
                        id="a8"
                        x3="3.484271"
                        y3="2.480510"
                        z3="0.673810"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-13.750379"
                        y3="8.406581"
                        z3="11.108429"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.532118"
                        y3="4.463340"
                        z3="4.587620"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.776029"
                        y3="5.635950"
                        z3="11.051596"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.324666"
                        y3="3.441516"
                        z3="2.640818"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.658278"
                        y3="6.620178"
                        z3="2.985337"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.594935"
                        y3="6.269764"
                        z3="5.405765"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.864820"
                        y3="2.586476"
                        z3="-0.607077"/>
                  <atom elementType="O"
                        id="a16"
                        x3="3.960817"
                        y3="5.131799"
                        z3="3.188511"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.272201"
                        y3="5.135596"
                        z3="0.114814"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.536528"
                        y3="1.723505"
                        z3="1.826472"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.505981"
                        y3="3.350617"
                        z3="0.390190"/>
                  <atom elementType="O"
                        id="a20"
                        x3="1.450134"
                        y3="5.902215"
                        z3="0.427491"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.022481"
                        y3="4.460409"
                        z3="-1.244541"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.695116"
                        y3="6.638550"
                        z3="1.832786"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-3.140745"
                        y3="4.287677"
                        z3="2.628716"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.708470"
                        y3="4.372905"
                        z3="0.628300"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.173324"
                        y3="0.962611"
                        z3="0.192008"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.303517"
                        y3="4.349695"
                        z3="3.761631"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.379931"
                        y3="4.638892"
                        z3="5.308333"/>
                  <atom elementType="O"
                        id="a28"
                        x3="1.843868"
                        y3="3.729074"
                        z3="2.448862"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.955732"
                        y3="6.387867"
                        z3="4.315506"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.104852"
                        y3="1.910227"
                        z3="-2.531241"/>
                  <atom elementType="O"
                        id="a31"
                        x3="1.997174"
                        y3="2.734349"
                        z3="-0.489940"/>
                  <atom elementType="O"
                        id="a32"
                        x3="3.853850"
                        y3="7.212848"
                        z3="1.248335"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-1.343232"
                        y3="4.462972"
                        z3="6.226755"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.416408"
                        y3="3.716249"
                        z3="1.295429"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.691227"
                        y3="7.253490"
                        z3="-0.971612"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-8.055997"
                        y3="3.660097"
                        z3="10.713852"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-0.274519"
                        y3="8.600483"
                        z3="3.925825"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.138754"
                        y3="5.986577"
                        z3="10.013974"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.171805"
                        y3="4.234622"
                        z3="9.229539"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.139524"
                        y3="1.945832"
                        z3="3.048312"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.442337"
                        y3="3.168029"
                        z3="7.263493"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.095724"
                        y3="7.148852"
                        z3="12.087758"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-7.015115"
                        y3="6.042183"
                        z3="5.284938"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-8.960192"
                        y3="9.346558"
                        z3="6.281596"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.614136"
                        y3="2.487001"
                        z3="5.948912"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.582812"
                        y3="8.726848"
                        z3="7.889621"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.489892"
                        y3="-0.316208"
                        z3="3.493158"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.757019"
                        y3="1.771145"
                        z3="4.532948"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.633985"
                        y3="7.178427"
                        z3="6.912415"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.901318"
                        y3="6.084123"
                        z3="4.980243"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.900418"
                        y3="5.578990"
                        z3="2.465569"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.543881"
                        y3="9.873062"
                        z3="9.971793"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.402943"
                        y3="-0.176151"
                        z3="3.873032"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.488927"
                        y3="10.063056"
                        z3="7.617003"/>
                  <atom elementType="W"
                        id="a55"
                        x3="-11.352291"
                        y3="7.756444"
                        z3="10.685805"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.388554"
                        y3="4.299856"
                        z3="5.283008"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.562805"
                        y3="5.254159"
                        z3="8.362794"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.429464"
                        y3="6.544134"
                        z3="8.538060"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-6.798046"
                        y3="9.504993"
                        z3="9.283296"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.046943"
                        y3="9.058872"
                        z3="11.679955"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.848190"
                        y3="6.422006"
                        z3="5.340139"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.711118"
                        y3="7.786711"
                        z3="9.372904"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-10.874672"
                        y3="8.912684"
                        z3="6.412527"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.631775"
                        y3="5.473279"
                        z3="7.816987"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.671677"
                        y3="3.849186"
                        z3="7.021599"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.304326"
                        y3="7.358321"
                        z3="6.442389"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-8.315534"
                        y3="1.638836"
                        z3="6.411220"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.799822"
                        y3="8.078636"
                        z3="4.845854"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.156690"
                        y3="9.939351"
                        z3="8.143451"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.745917"
                        y3="7.920890"
                        z3="8.851270"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-4.911322"
                        y3="7.428525"
                        z3="6.674791"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.109036"
                        y3="0.851490"
                        z3="5.051770"/>
                  <atom elementType="W"
                        id="a73"
                        x3="3.625155"
                        y3="3.450366"
                        z3="4.134748"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-2.057068"
                        y3="0.902628"
                        z3="3.537836"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.816363"
                        y3="-0.076761"
                        z3="1.696721"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.525274"
                        y3="4.440025"
                        z3="6.130794"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-9.071582"
                        y3="4.387158"
                        z3="5.895215"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-8.843089"
                        y3="7.426570"
                        z3="9.754444"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.962446"
                        y3="8.224392"
                        z3="11.667391"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.875247"
                        y3="6.609511"
                        z3="8.298129"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.436971"
                        y3="9.444104"
                        z3="10.519231"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-0.944533"
                        y3="-0.360792"
                        z3="2.307832"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-5.052937"
                        y3="1.466995"
                        z3="6.098514"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.159019"
                        y3="7.058238"
                        z3="7.258957"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.670448"
                        y3="2.485363"
                        z3="11.949999"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.602361"
                        y3="5.532024"
                        z3="6.649660"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.470203"
                        y3="11.568397"
                        z3="10.393020"/>
                  <atom elementType="O"
                        id="a88"
                        x3="1.210619"
                        y3="-1.611040"
                        z3="0.960164"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.838987"
                        y3="5.065756"
                        z3="8.813621"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.426864"
                        y3="5.871443"
                        z3="10.433534"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.124467"
                        y3="7.407415"
                        z3="12.101356"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.570488"
                        y3="0.943789"
                        z3="1.284748"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.079745"
                        y3="3.339870"
                        z3="5.100654"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.644905"
                        y3="-0.161944"
                        z3="6.370019"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.957170"
                        y3="5.628222"
                        z3="3.285389"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.777997"
                        y3="7.183893"
                        z3="13.806728"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-9.008939"
                        y3="10.860832"
                        z3="5.409025"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.373899"
                        y3="6.911559"
                        z3="11.313685"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.308756"
                        y3="3.060394"
                        z3="7.974740"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.077390"
                        y3="9.155146"
                        z3="6.692861"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-10.011563"
                        y3="3.497203"
                        z3="10.628935"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.677971"
                        y3="3.404892"
                        z3="9.523849"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.569402"
                        y3="2.404978"
                        z3="4.499427"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.275722"
                        y3="2.583880"
                        z3="2.415921"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.330365"
                        y3="4.468506"
                        z3="10.352157"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.922138"
                        y3="2.603843"
                        z3="9.116947"/>
                  <atom elementType="O"
                        id="a107"
                        x3="4.960016"
                        y3="1.868996"
                        z3="-0.431961"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.420898"
                        y3="5.275677"
                        z3="11.776822"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.831195"
                        y3="0.992950"
                        z3="-0.857308"/>
               </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="H2Cs2O79P2Tc2W22"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">5836.292776</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/2Cs.2O4P.2H2O.69O.2Tc.22W/c;;2*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;2*1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;2*-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*+1/p-2/rCs2H2O79P2Tc2W22/c3-82-27-102(17)53-89(8)36-88(7)37-90(9,40-89)46-99-26-2-24-97-48-92(11)41-91(10)42-95(14,43-92)63-106(21)59-86(5)31-84(76(2)97)32-87(6,35-86)52-101(16,56-92,66-97)30-83(4,80(106)107(22,60-87,64-95,72-101)74-106)29-100(15,51-86,55-91,71-106)65-96(47-91,49-97)23-1(75(84)96)25-98(45-89,50-99,67-102)77(1)85(78(2)99,81(1,2)84)33-104(19,69-102)61-93(12,38-88,57-102)44-94(13,39-88)58-103(18,28-82,54-90,68-99)70-105(20,34-85,62-94,73-104)79(82)104/h7,14H">
                  <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;2;3;4;5;38;39;41;42;46;49;50;52;73;74;75;76;1;8;36;44;55;72/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;2*1.1,2.1,3-1,4-1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OWHTcO1P4OOOOOOOOOOO3OOO3O4O1OO1OO1OOO1WO1WWOWWO3WOWOOWWCs5WOO1WOOP4OOOOOOO3O1OOOOOWWWWWOO3OO1OOCs5OO1TcO1O1OOOOO1O1OO1O1OOOOO1O3OOOOOH/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:-.4777,5.8713,.0753;2.8592,5.8621,1.746;-2.8582,3.465,.9876;.0044,2.5566,-.9112;-.2451,6.863,3.7304;.9676,4.6877,7.8043;-.7512,.3162,4.8912;3.4843,2.4805,.6738;-13.7504,8.4066,11.1084;-2.5321,4.4633,4.5876;-3.776,5.636,11.0516;.3247,3.4415,2.6408;1.6583,6.6202,2.9853;.5949,6.2698,5.4058;-1.8648,2.5865,-.6071;3.9608,5.1318,3.1885;-2.2722,5.1356,.1148;-2.5365,1.7235,1.8265;-4.506,3.3506,.3902;1.4501,5.9022,.4275;-.0225,4.4604,-1.2445;-.6951,6.6386,1.8328;-3.1407,4.2877,2.6287;3.7085,4.3729,.6283;.1733,.9626,.192;-.3035,4.3497,3.7616;-4.3799,4.6389,5.3083;1.8439,3.7291,2.4489;-1.9557,6.3879,4.3155;.1049,1.9102,-2.5312;1.9972,2.7343,-.4899;3.8538,7.2128,1.2483;-1.3432,4.463,6.2268;-.4164,3.7162,1.2954;-.6912,7.2535,-.9716;-8.056,3.6601,10.7139;-.2745,8.6005,3.9258;-5.1388,5.9866,10.014;-11.1718,4.2346,9.2295;.1395,1.9458,3.0483;-8.4423,3.168,7.2635;-8.0957,7.1489,12.0878;-7.0151,6.0422,5.2849;-8.9602,9.3466,6.2816;.6141,2.487,5.9489;-5.5828,8.7268,7.8896;1.4899,-.3162,3.4932;2.757,1.7711,4.5329;-11.634,7.1784,6.9124;-8.9013,6.0841,4.9802;-5.9004,5.579,2.4656;-8.5439,9.8731,9.9718;-3.4029,-.1762,3.873;-4.4889,10.0631,7.617;-11.3523,7.7564,10.6858;2.3886,4.2999,5.283;-4.5628,5.2542,8.3628;-8.4295,6.5441,8.5381;-6.798,9.505,9.2833;-8.0469,9.0589,11.68;-10.8482,6.422,5.3401;-4.7111,7.7867,9.3729;-10.8747,8.9127,6.4125;-11.6318,5.4733,7.817;-6.6717,3.8492,7.0216;-13.3043,7.3583,6.4424;-8.3155,1.6388,6.4112;-8.7998,8.0786,4.8459;-9.1567,9.9394,8.1435;-11.7459,7.9209,8.8513;-4.9113,7.4285,6.6748;1.109,.8515,5.0518;3.6252,3.4504,4.1347;-2.0571,.9026,3.5378;.8164,-.0768,1.6967;.5253,4.44,6.1308;-9.0716,4.3872,5.8952;-8.8431,7.4266,9.7544;-12.9624,8.2244,11.6674;-6.8752,6.6095,8.2981;-10.437,9.4441,10.5192;-.9445,-.3608,2.3078;-5.0529,1.467,6.0985;-9.159,7.0582,7.259;-7.6704,2.4854,11.95;-5.6024,5.532,6.6497;-8.4702,11.5684,10.393;1.2106,-1.611,.9602;-8.839,5.0658,8.8136;-11.4269,5.8714,10.4335;-10.1245,7.4074,12.1014;2.5705,.9438,1.2847;5.0797,3.3399,5.1007;1.6449,-.1619,6.37;-8.9572,5.6282,3.2854;-7.778,7.1839,13.8067;-9.0089,10.8608,5.409;-6.3739,6.9116,11.3137;-10.3088,3.0604,7.9747;-7.0774,9.1551,6.6929;-10.0116,3.4972,10.6289;-12.678,3.4049,9.5238;-2.5694,2.405,4.4994;4.2757,2.5839,2.4159;-6.3304,4.4685,10.3522;-7.9221,2.6038,9.1169;4.96,1.869,-.432;-8.4209,5.2757,11.7768;4.8312,.9929,-.8573;/R:/0/N:51,83,28,80,54,11,107,30,88,66,102,32,93,79,97,85,35,94,37,6,87,96,95,67,19,53,34,40,84,89,71,57,29,33,62,31,92,24,104,25,64,70,90,16,15,82,61,99,77,18,100,105,21,47,63,101,20,48,59,98,13,56,81,91,68,106,17,7,22,45,69,108,14,60,43,65,23,103,26,78,27,12,58,86,10,46,38,8,4,75,49,39,2,73,55,50,41,3,74,44,36,1,72,5,76,52,42/E:(1,2)(5,6)(8,9)(10,11)(12,13)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)(36,37)(38,39)(42,43)(45,46)(47,48)(51,52)(53,54)(55,56)(57,58)(59,60)(61,62)(63,64)(65,66)(67,68)(69,70)(71,72)(75,76)(77,78)(86,87)(89,90)(91,92)(93,94)(96,97)(98,99)(100,101)(102,103)(104,105)(106,107)/CRV:1.5,2.5,3.1,4.1,5.1,6.1,8.1,9.1,10.1,11.1,12.1,13.1,15.1,16.1,17.1,18.1,19.1,20.1,21.1,22.1,75.3,76.3,77.3,78.3,79.3,80.3,81.4,82.4,83.4,84.5,85.5</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>195282.45239000</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>1816.98155400</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>204730.35813999</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 W 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 W 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">2.468072 2.480873 2.438474 2.476692 2.451198 -0.775742 -0.919864 2.498734 0.138556 2.245916 -0.773862 1.984585 -0.930617 -0.939289 -0.914710 -0.920922 -0.920123 -0.956205 -0.815353 -0.938774 -0.921033 -0.938602 -1.029806 -0.901125 -0.937558 -1.050068 -1.117992 -1.017168 -0.960208 -0.767243 -0.923960 -0.774141 -0.961956 -1.028404 -0.770988 2.480766 -0.775153 2.459858 2.445052 -1.028826 2.427700 2.472957 -1.043562 2.480541 -0.939077 2.460111 -0.921498 -0.938761 2.443723 2.426670 1.043719 2.474282 -0.823802 -0.774322 2.501768 -0.932764 -0.958391 1.985395 -0.937854 -0.920522 -0.918811 -0.926657 -0.928256 -0.939905 -1.048662 -0.763630 -0.818931 -0.922074 -0.939254 -0.910746 -0.960992 2.468016 2.481533 2.437449 2.475177 2.450835 -0.949851 -1.017095 -0.518048 -1.051767 -0.912164 -0.911331 1.044289 -1.029336 -0.775501 2.327785 -0.774146 -0.765753 -1.028679 -0.926762 -0.898248 -0.913349 -0.775024 -0.770499 -0.826668 -0.772271 -0.774902 -0.934692 -0.921734 -0.938546 -0.928143 -0.766662 -1.023248 -0.908756 -0.938591 -0.921490 -0.518510 -0.939297 0.138502</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">1.908356 1.917588 1.899885 1.919085 1.904364 -0.666829 -0.732000 1.793205 0.425178 1.549766 -0.665078 1.555536 -0.713333 -0.762039 -0.749986 -0.742257 -0.730349 -0.702390 -0.676843 -0.703378 -0.748947 -0.700999 -0.772218 -0.706789 -0.690891 -0.780312 -0.793036 -0.741850 -0.752595 -0.661074 -0.685745 -0.669828 -0.754662 -0.754549 -0.664462 1.916224 -0.665648 1.907267 1.897692 -0.755499 1.890726 1.912239 -0.767899 1.915458 -0.703680 1.906321 -0.748734 -0.703791 1.896983 1.892063 0.788604 1.910222 -0.677455 -0.666218 1.800409 -0.713684 -0.746207 1.556231 -0.711697 -0.744180 -0.744267 -0.749163 -0.754425 -0.696443 -0.769396 -0.658063 -0.680378 -0.740022 -0.704660 -0.678424 -0.747127 1.907379 1.916732 1.900619 1.918562 1.903447 -0.699717 -0.741364 -0.669387 -0.776012 -0.717468 -0.746811 0.794338 -0.756978 -0.670149 1.579893 -0.671494 -0.658689 -0.755536 -0.691271 -0.704155 -0.678170 -0.671458 -0.664995 -0.678926 -0.668179 -0.669932 -0.712268 -0.747041 -0.700738 -0.754162 -0.662514 -0.769777 -0.713867 -0.698151 -0.739185 -0.667017 -0.703953 0.424489</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">2.010002 2.013046 1.977153 2.018236 1.992633 -0.635965 -0.785989 2.070500 0.424948 1.655647 -0.635836 1.535970 -0.784461 -0.810253 -0.777757 -0.782102 -0.784609 -0.795834 -0.654643 -0.776217 -0.782540 -0.793475 -0.806426 -0.762723 -0.778003 -0.819243 -0.820852 -0.819914 -0.764491 -0.630486 -0.800942 -0.635121 -0.770153 -0.809756 -0.629976 2.017313 -0.634576 1.996762 1.992236 -0.821286 1.974414 2.010801 -0.802757 2.017252 -0.794731 1.993203 -0.785093 -0.775245 1.992674 1.978343 0.857466 2.013326 -0.655149 -0.636483 2.133455 -0.784166 -0.755676 1.536933 -0.786543 -0.786081 -0.779955 -0.789802 -0.796202 -0.781815 -0.797016 -0.623844 -0.656126 -0.788855 -0.781503 -0.798905 -0.752744 2.009781 2.012224 1.978106 2.013609 1.995733 -0.798432 -0.793255 -0.681545 -0.841525 -0.810623 -0.769671 0.859294 -0.804733 -0.637198 1.676296 -0.635169 -0.628267 -0.819829 -0.816679 -0.769744 -0.772814 -0.637527 -0.630504 -0.654908 -0.634249 -0.635112 -0.785817 -0.782780 -0.791082 -0.792992 -0.627044 -0.803200 -0.780602 -0.786084 -0.785242 -0.678779 -0.783225 0.423595</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 W 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 W 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">-0.036349 -0.001000 -0.017828 -0.000153 -0.010650 0.017459 0.000460 -0.006059 0.000149 1.562436 0.013115 0.001087 -0.004794 -0.007322 -0.004328 -0.000298 0.000425 -0.006126 0.023152 -0.003062 -0.004031 0.000035 0.071229 -0.000269 -0.000045 0.019087 0.353243 -0.000143 0.079082 0.000789 -0.000149 0.000265 0.080905 0.000641 0.001602 0.010373 0.017004 0.058781 0.150436 0.000624 0.174178 0.043147 0.163278 0.011247 0.000047 0.060423 -0.004070 -0.003357 0.150990 0.176645 0.002624 0.041191 0.023376 0.013360 0.006087 -0.004993 0.130528 0.001636 0.001943 -0.000043 0.006394 0.036756 0.035986 0.002239 0.165045 -0.005446 0.014812 0.021128 0.008018 0.015074 0.134929 -0.037279 -0.000942 -0.017456 -0.000179 -0.011426 0.031926 0.000319 0.001041 0.022459 0.003729 -0.004515 0.002950 0.001372 -0.000269 2.045625 -0.001600 0.000776 0.001371 0.016843 0.002682 -0.000235 0.000270 0.001640 0.015411 -0.001677 -0.000347 0.002086 0.006011 0.003924 0.036161 -0.005864 0.069502 -0.000215 0.004125 0.021189 -0.000010 0.007673 -0.000015</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">-0.030238 -0.001249 -0.011762 -0.000458 -0.004232 0.017504 -0.000190 -0.004802 0.000440 1.236606 0.017508 0.002356 -0.005323 -0.003848 -0.005251 -0.000565 -0.000253 -0.003646 0.023435 -0.003705 -0.004667 0.000667 0.118626 -0.000571 -0.000287 0.045938 0.480353 -0.001089 0.134817 0.000691 -0.000466 0.000103 0.138043 0.002077 -0.000069 0.011014 0.017050 0.057924 0.127340 0.002136 0.154075 0.036080 0.226679 0.011790 0.000812 0.059534 -0.004715 -0.003976 0.127683 0.156045 0.014514 0.034513 0.023618 0.017914 0.005826 -0.005508 0.202611 0.003793 0.004052 0.002238 0.015010 0.042197 0.037292 0.012609 0.226040 0.001809 0.025824 0.027126 0.008689 0.017382 0.208223 -0.030993 -0.001211 -0.011426 -0.000486 -0.004759 0.045157 -0.000221 0.001703 0.059138 0.004957 -0.005376 0.015197 0.006195 0.001104 1.589522 0.000351 0.000673 0.006058 0.019152 0.004151 -0.000544 0.000106 -0.000069 0.026481 0.000326 0.001065 0.004150 0.014636 0.010793 0.037353 0.001456 0.118646 -0.000519 0.010590 0.026853 -0.000302 0.008461 -0.000106</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">-0.030029 -0.001090 -0.013040 -0.000073 -0.006404 0.017357 0.000350 -0.004717 -0.000090 1.245239 0.015903 0.001198 -0.006393 -0.009548 -0.006042 -0.000723 0.000090 -0.007893 0.023758 -0.004037 -0.004780 0.001744 0.117211 -0.000667 -0.000633 0.039816 0.475977 -0.000884 0.140386 0.000904 -0.000521 0.000239 0.145200 0.002452 0.000530 0.009760 0.017269 0.054895 0.127872 0.002018 0.151657 0.035784 0.234962 0.010497 0.001751 0.055871 -0.004922 -0.004393 0.128126 0.153399 0.015767 0.034187 0.023836 0.016036 0.004619 -0.006432 0.212753 -0.000214 0.003146 0.002752 0.017907 0.039876 0.040953 0.013289 0.231098 -0.001854 0.021144 0.029139 0.009403 0.019220 0.218630 -0.030862 -0.000945 -0.012789 -0.000186 -0.006931 0.047892 -0.002257 0.001263 0.048470 0.005744 -0.006029 0.016642 0.002403 0.000221 1.594679 -0.000722 0.000866 0.002785 0.021389 0.004676 -0.000643 0.000287 0.000469 0.021396 -0.000731 0.000088 0.004026 0.016720 0.014059 0.040651 -0.001827 0.117688 -0.000558 0.014008 0.028239 -0.000271 0.009562 -0.000063</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-794.530095</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">589.297184</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">97.802301</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-771.312414</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-33.252166</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-911.995185</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 W 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 W 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">2.44043839 2.46204108 2.45432621 2.45261786 2.40232885 -0.75686521 -0.95150793 2.52430380 0.31491215 1.98944803 -0.75544697 2.44670230 -0.93501370 -0.95722182 -0.94229286 -0.95261947 -0.94875526 -0.97847661 -0.78331513 -0.94627818 -0.94579768 -0.94971448 -0.99011593 -0.92312597 -0.95017340 -1.00936924 -1.01615254 -0.99950202 -0.92370061 -0.74793149 -0.92401029 -0.75348212 -0.92839053 -1.02674696 -0.75165760 2.45172317 -0.75650508 2.42059406 2.41057945 -1.02700545 2.44243759 2.45165156 -1.01097303 2.45070316 -0.94942167 2.41764484 -0.94595359 -0.94579100 2.41026274 2.44584659 0.90375226 2.45529863 -0.79038320 -0.75553353 2.52928413 -0.93674424 -0.93505281 2.45151133 -0.94280328 -0.94985809 -0.94668182 -0.94850878 -0.95064743 -0.94712680 -1.01407438 -0.74721216 -0.78825287 -0.94759310 -0.94665907 -0.91607789 -0.93903482 2.43880785 2.46364332 2.46008077 2.45190900 2.39913899 -0.97193485 -1.00141715 -0.72466801 -1.01154884 -0.93147585 -0.93797850 0.90089706 -1.02789872 -0.75467377 2.10392845 -0.75412221 -0.74700851 -1.02692577 -0.92423677 -0.92184044 -0.91787032 -0.75419512 -0.75090562 -0.79446809 -0.75258620 -0.75384517 -0.94051645 -0.94962043 -0.94793309 -0.95080838 -0.74946167 -0.98670582 -0.92795291 -0.94857231 -0.94470362 -0.72409175 -0.94691064 0.31562146</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">-0.04706335 -0.00094795 -0.02453549 -0.00001475 -0.01641337 0.01858542 0.00522705 -0.00767271 0.00008709 1.80785587 0.01084190 0.00193088 -0.00424147 -0.00675491 -0.00358569 -0.00000883 0.00507584 -0.00477654 0.02424516 -0.00127204 -0.00230514 0.00418693 0.03685881 0.00020479 0.00021936 -0.00444663 0.21993905 -0.00044242 0.04047101 0.00086830 0.00035616 0.00035741 0.04186860 0.00048462 0.00328000 0.01198595 0.01807741 0.07226499 0.19275153 0.00050191 0.22251351 0.05534170 0.10129299 0.01320845 0.00434508 0.07422003 -0.00228739 -0.00154032 0.19336102 0.22554707 0.00229561 0.05280843 0.02446323 0.01104095 0.00676736 -0.00440461 0.07244230 0.00229825 -0.00358932 -0.00637712 -0.01524273 0.03294642 0.03125840 -0.02069770 0.10468645 -0.01229284 0.00704179 0.01132621 0.00598096 0.00900710 0.07611852 -0.04830343 -0.00087009 -0.02411781 -0.00005849 -0.01748888 0.00854282 -0.00062351 0.00030677 -0.00415134 0.00138724 -0.00382155 0.00270066 -0.00032797 -0.00098069 2.35801624 -0.00352346 0.00086314 -0.00032900 0.01081494 0.00000500 0.00026836 0.00035809 0.00336126 0.00755942 -0.00366236 -0.00109654 -0.00348048 -0.01553052 -0.00237689 0.03144717 -0.01274653 0.03430547 0.00025416 -0.00194441 0.01166497 0.00019437 0.00547186 -0.00001257</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">40.80211980 -61.21161667 -67.69371184</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">91.265002</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">140.46987345 816.72172246 1103.25258728 144.93944230 -1177.21168979 -285.40931575</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">12.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">12.10069820</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="4454">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 999 1000 1001 1002 1003 1004 1005 1006 1007 1008 1009 1010 1011 1012 1013 1014 1015 1016 1017 1018 1019 1020 1021 1022 1023 1024 1025 1026 1027 1028 1029 1030 1031 1032 1033 1034 1035 1036 1037 1038 1039 1040 1041 1042 1043 1044 1045 1046 1047 1048 1049 1050 1051 1052 1053 1054 1055 1056 1057 1058 1059 1060 1061 1062 1063 1064 1065 1066 1067 1068 1069 1070 1071 1072 1073 1074 1075 1076 1077 1078 1079 1080 1081 1082 1083 1084 1085 1086 1087 1088 1089 1090 1091 1092 1093 1094 1095 1096 1097 1098 1099 1100 1101 1102 1103 1104 1105 1106 1107 1108 1109 1110 1111 1112 1113 1114 1115 1116 1117 1118 1119 1120 1121 1122 1123 1124 1125 1126 1127 1128 1129 1130 1131 1132 1133 1134 1135 1136 1137 1138 1139 1140 1141 1142 1143 1144 1145 1146 1147 1148 1149 1150 1151 1152 1153 1154 1155 1156 1157 1158 1159 1160 1161 1162 1163 1164 1165 1166 1167 1168 1169 1170 1171 1172 1173 1174 1175 1176 1177 1178 1179 1180 1181 1182 1183 1184 1185 1186 1187 1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 1588 1589 1590 1591 1592 1593 1594 1595 1596 1597 1598 1599 1600 1601 1602 1603 1604 1605 1606 1607 1608 1609 1610 1611 1612 1613 1614 1615 1616 1617 1618 1619 1620 1621 1622 1623 1624 1625 1626 1627 1628 1629 1630 1631 1632 1633 1634 1635 1636 1637 1638 1639 1640 1641 1642 1643 1644 1645 1646 1647 1648 1649 1650 1651 1652 1653 1654 1655 1656 1657 1658 1659 1660 1661 1662 1663 1664 1665 1666 1667 1668 1669 1670 1671 1672 1673 1674 1675 1676 1677 1678 1679 1680 1681 1682 1683 1684 1685 1686 1687 1688 1689 1690 1691 1692 1693 1694 1695 1696 1697 1698 1699 1700 1701 1702 1703 1704 1705 1706 1707 1708 1709 1710 1711 1712 1713 1714 1715 1716 1717 1718 1719 1720 1721 1722 1723 1724 1725 1726 1727 1728 1729 1730 1731 1732 1733 1734 1735 1736 1737 1738 1739 1740 1741 1742 1743 1744 1745 1746 1747 1748 1749 1750 1751 1752 1753 1754 1755 1756 1757 1758 1759 1760 1761 1762 1763 1764 1765 1766 1767 1768 1769 1770 1771 1772 1773 1774 1775 1776 1777 1778 1779 1780 1781 1782 1783 1784 1785 1786 1787 1788 1789 1790 1791 1792 1793 1794 1795 1796 1797 1798 1799 1800 1801 1802 1803 1804 1805 1806 1807 1808 1809 1810 1811 1812 1813 1814 1815 1816 1817 1818 1819 1820 1821 1822 1823 1824 1825 1826 1827 1828 1829 1830 1831 1832 1833 1834 1835 1836 1837 1838 1839 1840 1841 1842 1843 1844 1845 1846 1847 1848 1849 1850 1851 1852 1853 1854 1855 1856 1857 1858 1859 1860 1861 1862 1863 1864 1865 1866 1867 1868 1869 1870 1871 1872 1873 1874 1875 1876 1877 1878 1879 1880 1881 1882 1883 1884 1885 1886 1887 1888 1889 1890 1891 1892 1893 1894 1895 1896 1897 1898 1899 1900 1901 1902 1903 1904 1905 1906 1907 1908 1909 1910 1911 1912 1913 1914 1915 1916 1917 1918 1919 1920 1921 1922 1923 1924 1925 1926 1927 1928 1929 1930 1931 1932 1933 1934 1935 1936 1937 1938 1939 1940 1941 1942 1943 1944 1945 1946 1947 1948 1949 1950 1951 1952 1953 1954 1955 1956 1957 1958 1959 1960 1961 1962 1963 1964 1965 1966 1967 1968 1969 1970 1971 1972 1973 1974 1975 1976 1977 1978 1979 1980 1981 1982 1983 1984 1985 1986 1987 1988 1989 1990 1991 1992 1993 1994 1995 1996 1997 1998 1999 2000 2001 2002 2003 2004 2005 2006 2007 2008 2009 2010 2011 2012 2013 2014 2015 2016 2017 2018 2019 2020 2021 2022 2023 2024 2025 2026 2027 2028 2029 2030 2031 2032 2033 2034 2035 2036 2037 2038 2039 2040 2041 2042 2043 2044 2045 2046 2047 2048 2049 2050 2051 2052 2053 2054 2055 2056 2057 2058 2059 2060 2061 2062 2063 2064 2065 2066 2067 2068 2069 2070 2071 2072 2073 2074 2075 2076 2077 2078 2079 2080 2081 2082 2083 2084 2085 2086 2087 2088 2089 2090 2091 2092 2093 2094 2095 2096 2097 2098 2099 2100 2101 2102 2103 2104 2105 2106 2107 2108 2109 2110 2111 2112 2113 2114 2115 2116 2117 2118 2119 2120 2121 2122 2123 2124 2125 2126 2127 2128 2129 2130 2131 2132 2133 2134 2135 2136 2137 2138 2139 2140 2141 2142 2143 2144 2145 2146 2147 2148 2149 2150 2151 2152 2153 2154 2155 2156 2157 2158 2159 2160 2161 2162 2163 2164 2165 2166 2167 2168 2169 2170 2171 2172 2173 2174 2175 2176 2177 2178 2179 2180 2181 2182 2183 2184 2185 2186 2187 2188 2189 2190 2191 2192 2193 2194 2195 2196 2197 2198 2199 2200 2201 2202 2203 2204 2205 2206 2207 2208 2209 2210 2211 2212 2213 2214 2215 2216 2217 2218 2219 2220 2221 2222 2223 2224 2225 2226 2227</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="4454">1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000</array>
                     <array dataType="xsd:double"
                            dictRef="cc:energy"
                            size="4454"
                            units="nonsi:electronvolt">-80.874868 -80.846826 -80.318287 -80.309462 -80.280753 -80.278712 -80.273233 -80.272225 -80.256812 -80.244280 -80.243720 -80.241546 -80.201486 -80.198635 -80.191800 -80.177605 -80.145361 -80.133090 -80.128183 -80.121782 -80.089659 -80.070739 -45.583117 -45.560641 -45.532736 -45.491930 -45.472059 -45.456835 -45.157198 -45.146554 -45.108676 -45.100970 -45.099703 -45.098938 -45.096454 -45.091496 -45.089004 -45.079220 -45.068693 -45.067535 -45.049844 -45.029497 -45.011855 -45.004634 -45.001823 -44.992622 -44.984822 -44.983386 -44.982279 -44.978319 -44.970906 -44.968408 -44.962214 -44.959604 -44.955523 -44.954930 -44.948553 -44.942584 -44.941675 -44.933333 -44.925365 -44.917734 -44.911127 -44.907241 -44.895520 -44.893484 -44.876445 -44.875194 -44.873547 -44.869562 -44.861223 -44.857638 -44.845439 -44.842707 -44.825222 -44.820611 -44.818968 -44.807486 -44.796449 -44.784864 -44.783571 -44.781415 -44.777196 -44.754970 -44.746707 -44.740130 -44.725280 -44.701471 -27.187519 -27.177209 -25.651694 -25.641850 -25.202866 -25.196049 -24.854132 -24.847223 -24.842232 -24.820222 -24.771613 -24.759672 -24.129128 -24.126511 -23.818888 -23.808532 -23.796431 -23.761890 -23.744581 -23.732047 -23.707953 -23.682528 -23.639860 -23.628358 -23.587660 -23.578684 -23.445996 -23.385461 -23.375081 -23.369714 -23.354291 -23.346003 -23.268046 -23.263275 -23.229645 -23.224064 -23.117096 -23.083034 -23.058950 -23.054811 -23.038826 -23.011400 -23.001018 -22.952849 -22.938535 -22.904372 -22.890628 -22.874418 -22.859807 -22.849392 -22.836209 -22.834260 -22.827484 -22.822469 -22.821506 -22.816472 -22.809019 -22.799719 -22.789965 -22.780060 -22.779185 -22.776243 -22.772467 -22.768021 -22.765863 -22.763852 -22.755011 -22.752663 -22.750493 -22.746859 -22.724968 -22.718176 -22.705853 -22.690660 -22.644289 -22.643883 -22.627858 -22.624291 -22.606684 -22.594389 -22.574518 -14.947643 -14.935048 -13.030118 -13.024242 -12.787725 -12.723214 -12.713829 -12.711326 -12.699268 -12.696394 -12.680085 -12.650153 -12.639677 -12.634517 -12.617049 -12.604584 -12.396662 -12.395439 -12.356846 -12.325259 -12.321797 -12.293220 -12.206548 -12.186945 -11.743327 -11.705897 -11.678079 -11.652708 -11.633006 -11.617024 -11.590746 -11.555026 -11.535501 -11.516711 -11.511383 -11.474293 -11.473407 -11.435363 -11.379150 -11.348937 -11.253429 -11.227781 -11.043747 -11.023116 -11.019057 -11.012461 -10.998213 -10.930012 -10.920218 -10.902123 -10.850323 -10.844531 -10.753522 -10.708163 -10.699085 -10.692242 -10.680036 -10.636143 -10.513804 -10.494072 -10.382435 -10.298233 -10.275634 -10.268524 -10.259175 -10.246758 -10.241821 -10.228087 -10.221751 -10.204674 -10.201067 -10.172836 -10.138424 -10.115579 -10.110583 -10.081393 -10.072574 -10.046233 -10.015658 -10.009868 -9.996464 -9.969337 -9.948528 -9.936338 -9.900770 -9.877105 -9.860531 -9.851250 -9.820220 -9.758818 -9.742774 -9.733652 -9.725052 -9.722529 -9.713402 -9.682300 -9.672350 -9.660229 -9.653229 -9.636602 -9.628954 -9.613592 -9.591665 -9.560908 -9.547683 -9.521357 -9.493623 -9.479780 -9.435370 -9.431387 -9.414510 -9.393512 -9.372058 -9.348683 -9.339913 -9.334084 -9.318973 -9.299843 -9.297341 -9.284017 -9.280396 -9.274642 -9.272779 -9.258674 -9.249304 -9.244054 -9.230188 -9.162619 -9.153694 -9.146730 -9.110226 -9.034953 -9.003166 -8.996832 -8.990069 -8.977367 -8.959567 -8.932592 -8.920814 -8.908011 -8.870653 -8.844479 -8.830347 -8.815039 -8.806209 -8.790974 -8.772040 -8.762798 -8.739905 -8.725778 -8.718464 -8.709555 -8.692853 -8.679894 -8.676408 -8.632525 -8.622033 -8.608554 -8.593551 -8.510831 -8.503263 -8.419456 -8.398060 -8.333583 -8.255514 -8.243850 -8.206474 -8.177815 -8.122737 -8.100006 -8.088170 -8.067239 -8.040183 -8.020076 -7.988775 -7.955321 -7.939336 -7.920255 -7.878195 -7.841612 -7.814044 -7.801558 -7.793390 -7.783903 -7.763639 -7.741271 -7.736705 -7.645605 -7.618382 -7.602955 -7.553664 -7.532255 -7.503068 -7.437704 -7.434732 -7.421861 -7.418840 -7.408852 -7.398635 -7.379146 -7.339592 -7.335636 -7.310796 -7.301134 -7.266709 -7.255027 -7.254580 -7.231536 -7.225121 -7.223479 -7.213269 -7.196925 -7.194290 -7.190393 -7.179293 -7.177241 -7.166820 -7.158893 -7.152099 -7.143344 -7.137029 -7.128889 -7.124306 -7.118395 -7.100539 -7.090562 -7.080416 -6.939849 -6.920332 -6.881500 -6.865029 -6.853522 -6.823630 -6.796930 -6.791298 -6.780496 -6.734648 -6.709484 -6.697589 -6.521809 -6.518988 -6.491983 -6.448797 -5.484570 -5.394527 -5.126622 -4.845471 -4.797928 -4.489095 -3.945732 -3.646399 -3.575830 -3.530219 -3.524045 -3.476738 -3.446426 -3.430109 -3.409236 -3.397492 -3.298423 -3.240145 -3.186185 -3.112770 -3.034339 -3.023445 -2.938677 -2.884565 -2.838415 -2.823913 -2.821399 -2.801851 -2.800624 -2.761729 -2.736366 -2.563246 -2.545816 -2.517788 -2.514416 -2.486365 -2.482555 -2.471994 -2.454686 -2.397149 -2.372813 -2.346673 -2.317548 -2.314069 -2.272384 -2.271804 -2.234089 -2.221970 -2.190263 -2.169640 -2.151251 -2.083172 -1.985006 -1.964166 -1.938798 -1.895053 -1.876451 -1.802861 -1.733719 -1.728786 -1.704101 -1.678152 -1.634383 -1.625130 -1.596944 -1.592731 -1.576957 -1.573467 -1.546909 -1.506267 -1.460063 -1.445160 -1.425125 -1.397792 -1.281254 -1.263578 -1.256252 -1.228015 -0.758557 -0.493028 -0.472600 -0.384781 -0.373645 -0.362204 -0.335694 -0.306238 -0.273162 -0.210823 -0.061102 -0.042687 0.061113 0.208209 0.246944 0.249704 0.282931 0.288641 0.301023 0.316667 0.342325 0.348560 0.369126 0.382403 0.402246 0.428553 0.446069 0.482471 0.512588 0.589147 0.600068 0.656575 0.681634 0.699926 0.738602 0.749318 0.848289 0.879078 0.891765 0.930749 0.952987 1.012479 1.078787 1.102758 1.211138 1.216569 1.235329 1.299414 1.327775 1.340952 1.361695 1.411875 1.462732 1.481268 1.534696 1.540347 1.590631 1.617312 1.735768 1.791984 1.809322 1.823009 1.892977 1.943792 1.951632 2.003094 2.045942 2.283258 2.324367 2.349673 2.362273 2.420036 2.451562 2.456641 2.520440 2.551683 2.614944 2.675205 2.725151 2.766411 2.789358 2.834508 2.860618 2.889769 2.995254 3.043228 3.105610 3.131347 3.147095 3.190398 3.232683 3.242024 3.272771 3.325128 3.491142 3.534026 3.558311 3.692304 3.729641 3.800509 3.844803 3.880171 3.972038 4.036367 4.041424 4.056459 4.061333 4.106543 4.178396 4.193573 4.220415 4.244936 4.271839 4.291208 4.311940 4.397095 4.449791 4.458538 4.515260 4.609268 4.611086 4.670662 4.691363 4.786117 4.813493 4.850672 4.948493 4.991634 5.005794 5.020556 5.069152 5.079102 5.201325 5.249891 5.283161 5.313788 5.329901 5.387788 5.410067 5.456309 5.500902 5.521004 5.529501 5.543918 5.598765 5.637254 5.739910 5.759870 5.811733 5.852476 5.863997 5.960707 5.996731 6.107278 6.128350 6.179690 6.193566 6.302193 6.344011 6.362199 6.493055 6.522108 6.526011 6.564132 6.572832 6.592471 6.612071 6.655453 6.665897 6.686194 6.760598 6.806071 6.836891 6.842626 6.914314 6.944492 6.966337 6.996567 7.033957 7.049293 7.071253 7.096831 7.137103 7.211181 7.226114 7.261993 7.288909 7.316855 7.334317 7.369544 7.451726 7.473266 7.520445 7.592596 7.620735 7.644916 7.657628 7.696478 7.717687 7.746307 7.902623 7.920280 7.926560 7.997118 8.019110 8.050990 8.104319 8.150646 8.237159 8.311099 8.341268 8.392697 8.464589 8.482605 8.528994 8.555686 8.574021 8.618215 8.644230 8.693165 8.722193 8.743997 8.752701 8.773909 8.815511 8.852838 8.879836 8.895125 8.962030 9.007987 9.057172 9.068132 9.127165 9.161184 9.179301 9.194494 9.216241 9.260888 9.300953 9.352852 9.408153 9.436375 9.489788 9.574352 9.603585 9.620565 9.638309 9.677928 9.719085 9.733244 9.754813 9.838880 9.867373 9.897445 9.922192 9.993544 10.018087 10.053876 10.081013 10.148745 10.191559 10.216382 10.226847 10.245351 10.294370 10.311450 10.370114 10.409211 10.485377 10.499935 10.535605 10.569624 10.597325 10.651892 10.692143 10.738536 10.782719 10.789066 10.848169 10.870459 10.924652 10.946457 10.988541 11.062024 11.109782 11.165476 11.178635 11.218784 11.260977 11.316143 11.334889 11.398854 11.431754 11.451496 11.516441 11.528426 11.563033 11.651598 11.655503 11.711731 11.729829 11.755031 11.857925 11.912916 12.055721 12.069663 12.134676 12.151402 12.159893 12.291358 12.369670 12.422286 12.454077 12.573525 12.597258 12.621516 12.653890 12.696072 12.719730 12.768266 12.807870 12.872772 12.916288 12.951510 12.991716 13.051616 13.385242 13.397137 13.492494 13.532323 13.575139 13.650233 13.689306 13.770642 13.812168 14.012574 14.138297 14.161270 14.240069 14.297263 14.360252 14.470698 14.622344 14.657900 14.672386 14.742683 14.757348 14.774981 14.839487 15.042619 15.086673 15.159062 15.192943 15.198494 15.316407 15.345699 15.525760 15.673035 15.710535 15.798485 15.903836 15.945866 15.977262 16.083320 16.165518 16.194537 16.273243 16.302828 16.396944 16.489631 16.534570 16.694001 16.770837 16.792154 16.811769 16.869010 16.946997 17.038608 17.125356 17.198619 17.228724 17.250440 17.289765 17.301620 17.335805 17.370382 17.441694 17.494037 17.524976 17.596770 17.631526 17.650726 17.705612 17.761228 17.802620 17.851508 17.884722 17.952798 17.974491 18.000534 18.065156 18.116263 18.131424 18.161323 18.229969 18.320162 18.335642 18.406336 18.521084 18.559165 18.588903 18.681828 18.722739 18.808109 18.877187 19.000873 19.015197 19.076704 19.129984 19.151450 19.173492 19.250697 19.361269 19.442845 19.467778 19.499588 19.520808 19.633379 19.658501 19.713785 19.784506 19.832372 19.833938 19.889421 19.974482 20.001905 20.046760 20.078585 20.114582 20.155294 20.181824 20.224948 20.241806 20.282594 20.365133 20.437377 20.447331 20.476811 20.546551 20.579788 20.667095 20.686392 20.732560 20.798876 20.842269 20.867658 20.894883 20.946303 21.016795 21.023999 21.198994 21.220225 21.287982 21.310727 21.335966 21.354877 21.393827 21.485595 21.504761 21.604651 21.681996 21.699967 21.820911 21.855803 22.008005 22.059594 22.125253 22.136374 22.168261 22.222603 22.306757 22.357362 22.406651 22.465806 22.529730 22.534189 22.694035 22.738805 22.804796 22.832229 22.897512 22.919671 22.966059 22.986296 23.053050 23.094840 23.194254 23.258189 23.302032 23.388643 23.435264 23.454006 23.476711 23.570304 23.594969 23.708715 23.761072 23.777016 23.820380 23.952318 23.991102 24.039211 24.047595 24.070903 24.131400 24.323077 24.424580 24.431041 24.471107 24.582437 24.615075 24.667761 24.742334 24.947866 24.990046 25.118078 25.211377 25.251002 25.283348 25.332703 25.466045 25.494812 25.532677 25.549829 25.606665 25.636804 25.674503 25.701825 25.755896 25.867817 25.929239 25.993562 26.040011 26.127039 26.153081 26.281467 26.301200 26.321590 26.378173 26.438772 26.450938 26.537249 26.552498 26.609134 26.644755 26.697064 26.718593 26.767135 26.868621 26.890523 26.934700 26.974623 26.984775 27.016222 27.077328 27.112062 27.283303 27.296554 27.331274 27.359797 27.422786 27.454402 27.533158 27.719668 27.727851 27.751720 27.826765 27.831879 27.875144 27.966460 27.970266 27.985036 28.013163 28.109950 28.127834 28.185180 28.191803 28.216453 28.303698 28.370572 28.385706 28.411864 28.461801 28.560976 28.590133 28.653261 28.690116 28.747662 28.788195 28.847770 28.872474 28.907395 28.930734 28.998002 29.047696 29.109531 29.151033 29.212444 29.231226 29.236490 29.276666 29.361706 29.405980 29.459231 29.467056 29.519193 29.531028 29.560471 29.615277 29.664621 29.695009 29.732350 29.765089 29.824771 29.874799 29.894048 29.958480 29.970651 30.003814 30.036470 30.088675 30.111857 30.227253 30.238866 30.276117 30.330627 30.425535 30.478870 30.547646 30.592812 30.637261 30.669318 30.689596 30.746332 30.779593 30.793024 30.877569 30.935150 30.971585 31.009195 31.083507 31.111006 31.159281 31.186185 31.195461 31.235115 31.240820 31.280639 31.318936 31.378106 31.405712 31.499377 31.502294 31.519396 31.607186 31.649636 31.688016 31.748091 31.839121 31.862521 31.877740 31.919957 32.007162 32.028458 32.068228 32.160858 32.180121 32.219212 32.273025 32.299407 32.371129 32.385870 32.434991 32.473408 32.492763 32.532635 32.539886 32.557038 32.586919 32.610711 32.639496 32.683271 32.705452 32.723811 32.763238 32.806393 32.810231 32.822872 32.851081 32.879596 32.890229 32.911122 32.942560 32.985654 32.992001 33.052995 33.078375 33.096102 33.187627 33.263140 33.302098 33.312009 33.354486 33.368298 33.401768 33.426679 33.469950 33.519909 33.539727 33.580312 33.588683 33.635259 33.664285 33.701392 33.730209 33.776626 33.816162 33.837368 33.879405 33.894620 33.961865 33.964692 34.017802 34.029056 34.052498 34.091685 34.099036 34.124892 34.139707 34.207906 34.228142 34.247855 34.261247 34.285810 34.332677 34.373475 34.404687 34.470492 34.501045 34.536744 34.538323 34.560703 34.595571 34.625537 34.676051 34.688804 34.752313 34.784080 34.785772 34.804241 34.877566 34.890120 34.916566 34.954614 35.013317 35.038595 35.060070 35.104112 35.111870 35.157196 35.183665 35.231691 35.238437 35.258271 35.294925 35.319115 35.427867 35.436002 35.539961 35.561937 35.646686 35.728521 35.767969 35.824020 35.870886 35.879459 35.914219 35.963847 35.993352 36.007014 36.031738 36.053319 36.097034 36.114822 36.148633 36.186522 36.204502 36.264342 36.290541 36.343978 36.379481 36.420688 36.469055 36.483759 36.530478 36.586237 36.612065 36.672823 36.687623 36.725119 36.750647 36.814702 36.846119 36.858735 36.866640 36.931834 36.951426 36.986844 36.995691 37.016627 37.128399 37.140406 37.188998 37.210273 37.246108 37.252633 37.338342 37.355712 37.393798 37.415006 37.453708 37.481183 37.491661 37.502272 37.551069 37.573432 37.627866 37.687689 37.732716 37.887754 37.927159 38.034905 38.051222 38.078401 38.176779 38.190052 38.408866 38.454769 38.484867 38.563293 38.582267 38.673761 38.735295 38.845867 38.928499 39.015357 39.040219 39.103769 39.216768 39.290366 39.339993 39.365758 39.390479 39.487364 39.543519 39.628944 39.644407 39.693599 39.703615 39.748183 39.780271 39.794407 39.854715 39.873824 39.944760 40.025242 40.031640 40.067575 40.150086 40.224064 40.245438 40.314475 40.379496 40.403273 40.458782 40.470402 40.608930 40.622867 40.719910 40.754164 40.821246 40.827282 40.872242 40.983443 41.020226 41.048269 41.071232 41.109828 41.162553 41.199139 41.242602 41.321360 41.391433 41.401266 41.420341 41.453364 41.500041 41.590994 41.639827 41.737949 41.819009 41.896143 41.932408 41.995260 42.094356 42.164196 42.189069 42.251299 42.270999 42.308351 42.444198 42.471897 42.507370 42.574927 42.639411 42.643291 42.681244 42.794549 42.813199 42.899712 42.955981 43.071491 43.110413 43.246755 43.349058 43.405786 43.491684 43.518540 43.559323 43.593199 43.628134 43.642750 43.716858 43.822382 43.867822 43.913968 44.027104 44.065012 44.128236 44.154263 44.207153 44.260031 44.405944 44.510059 44.532582 44.559908 44.661210 44.711342 44.812562 44.839108 44.852288 44.879525 44.948286 44.987701 45.063595 45.195271 45.319848 45.478799 45.521847 45.598744 45.641361 45.680587 45.724104 45.787770 45.844398 46.072108 46.131736 46.162025 46.193244 46.296356 46.320302 46.424617 46.491233 46.652127 46.708746 46.748105 46.925380 46.954646 47.149437 47.175513 47.281717 47.391647 47.452631 47.609596 47.718763 47.839392 47.904108 47.929040 48.028319 48.048432 48.271611 48.439221 48.583159 48.589204 48.661963 48.720939 48.837769 48.852103 49.068530 49.081837 49.125453 49.371482 49.436343 49.593465 49.609742 49.649973 49.689806 49.832922 49.922394 50.079127 50.103035 50.188752 50.313715 50.321999 50.413544 50.480547 50.538304 50.665504 50.679022 50.753117 51.021817 51.111138 51.206438 51.251675 51.311026 51.370954 51.414824 51.456771 51.539115 51.642083 51.678365 51.733182 51.764419 51.901208 51.913821 51.981516 52.044209 52.139801 52.185938 52.265523 52.383895 52.425830 52.439456 52.495323 52.547567 52.590722 52.633902 52.676867 52.714174 52.811958 52.909835 53.047067 53.119363 53.183984 53.253031 53.311178 53.463472 53.509477 53.603496 53.684335 53.778684 53.802185 53.858798 53.971026 53.993399 54.126072 54.188887 54.228305 54.305501 54.341883 54.429330 54.598114 54.647846 54.705384 54.774253 54.881714 54.969323 55.065172 55.105798 55.129573 55.146304 55.180778 55.244344 55.404317 55.481865 55.592281 55.645718 55.683020 55.737297 55.980916 56.043318 56.110959 56.142158 56.174055 56.256012 56.367203 56.544946 56.591533 56.684084 56.847558 56.869332 56.973212 57.067531 57.122752 57.172584 57.262539 57.321047 57.338477 57.470275 57.475377 57.712883 57.754833 57.852881 57.912943 57.995646 58.058639 58.143418 58.180927 58.192291 58.288735 58.328701 58.381541 58.458675 58.488130 58.581129 58.617318 58.781528 58.789345 58.856123 58.940708 59.010616 59.230039 59.261913 59.360364 59.433383 59.477446 59.521369 59.673889 59.743278 59.758080 59.887747 59.900746 60.031879 60.107701 60.270423 60.296833 60.348526 60.427794 60.548434 60.556584 60.630782 60.820593 60.837324 60.910082 60.942863 61.053938 61.185576 61.299534 61.361560 61.565262 61.718882 61.742018 61.840017 62.063904 62.087614 62.528372 62.651310 62.744389 62.955734 63.497341 63.600680 63.722090 63.905832 64.124844 64.142739 64.290588 64.500703 64.567666 64.673697 64.712393 64.770536 65.021276 65.278065 65.354357 65.461730 65.556246 65.860470 66.045946 66.171061 66.238213 66.420581 66.547163 66.694501 66.744727 66.902304 67.051405 67.088830 67.119761 67.192483 67.244433 67.320690 67.337173 67.567478 67.607284 67.631760 67.662107 67.783811 67.901559 67.992497 68.025548 68.285322 68.448041 68.507102 68.590615 68.677319 68.735283 68.808521 68.955842 69.361922 69.382375 69.500693 70.248343 70.618995 70.693029 70.827296 71.051437 71.269202 71.295112 71.960375 72.155384 72.340927 72.530752 73.065549 73.706644 73.852287 74.068957 74.161629 74.407812 74.539825 74.707938 75.095790 75.767024 75.825006 75.938996 76.317477 76.796774 77.092914 77.185195 77.701606 77.795741 77.890673 78.047295 78.161055 78.518868 78.638064 78.781575 79.162224 79.314840 79.656008 79.856465 80.125807 80.862432 81.133950 81.404558 81.767844 81.995990 82.149815 82.781870 83.127304 83.370329 83.461005 83.591613 83.854728 84.010406 84.079084 84.161658 84.284079 84.602579 84.746663 84.785256 84.986444 85.289074 85.500999 86.262481 86.371755 86.638803 86.837442 87.005359 87.060952 90.213574 90.666583 91.287367 91.485522 91.614010 91.784966 91.829567 91.944759 93.864447 94.294920 102.967155 103.211521 103.290012 103.401498 103.471279 103.653881 103.673881 103.890734 104.028514 104.198729 104.270831 104.740100 104.844630 104.969036 105.304043 105.717165 106.549637 106.718088 106.796048 106.891536 107.070055 107.735469 120.198569 120.959128 121.625986 121.690568 122.204888 122.420238 122.441772 122.549943 122.725679 122.784141 123.329662 123.407348 123.659414 124.110089 124.199491 124.493046 124.506008 124.705723 124.749557 124.845388 125.037193 125.264228 125.577770 125.925301 126.048237 126.479358 126.564506 126.810658 126.857549 126.927470 127.185769 127.339958 127.488950 127.581332 127.647298 127.774626 127.916199 127.982295 127.995395 128.136011 128.258427 128.413665 128.527507 128.640866 128.917139 128.988517 129.089140 129.145733 129.461198 129.537781 130.104731 130.139587 130.183678 130.445533 130.607630 130.671083 130.747177 130.839216 130.967773 131.056896 131.114846 131.189770 131.420163 131.531353 131.597273 131.665835 131.846682 131.944155 132.022148 132.038196 132.100190 132.192047 132.204300 132.348473 132.430135 132.523481 132.537047 132.608934 132.897972 132.951567 132.997319 133.192472 133.258620 133.452193 133.547494 133.683108 133.764782 133.836500 133.952824 133.987318 134.168807 134.270485 134.337634 134.399865 134.610362 134.880187 134.974974 135.311369 135.498538 135.589040 135.697208 135.873875 136.136085 136.513564 136.544706 136.707848 136.911097 137.072871 137.266768 137.363770 137.532425 137.653273 137.835543 138.096831 138.224651 138.382274 138.572588 138.731487 139.227862 139.307573 139.387730 139.508676 139.804658 139.948973 140.077982 140.214052 140.295343 140.436730 140.606731 140.798238 140.829233 141.048912 141.311488 141.505570 141.552104 141.686133 141.888580 142.015449 142.460891 142.792434 142.891049 143.262457 143.314479 143.521677 143.653730 143.888531 143.999547 144.366179 144.464462 144.513032 144.580690 144.769349 145.237323 145.282815 145.448472 145.851209 146.187259 146.348084 146.422199 146.564180 146.689476 146.961473 147.117885 147.467957 147.587173 147.690576 147.732685 147.956460 148.067873 148.181564 148.323134 148.337923 148.361224 148.664906 148.964354 149.080674 149.165456 149.405776 149.481520 149.676773 149.949293 150.290931 151.319053 151.423647 151.529638 151.855933 152.130131 152.320014 152.578606 152.783470 152.974861 153.144166 153.244806 153.318626 153.477817 153.736864 153.883960 153.951123 154.201074 154.304679 154.411744 154.433115 154.691048 154.726550 154.787935 155.050045 155.400584 155.469865 155.630514 155.718400 155.804808 156.019679 156.041189 156.292851 156.376438 156.530838 156.707084 156.762299 156.784323 156.912119 157.302928 157.528898 157.998557 158.240193 158.309577 158.401962 158.602515 158.920427 159.239712 159.551520 159.966386 159.994871 160.519543 160.993820 162.146401 162.557102 162.708044 163.071068 163.599128 164.903491 165.121598 165.355223 165.547066 165.868772 165.973542 166.344977 166.716603 166.843166 167.675939 167.804200 167.828480 168.030938 168.604855 168.840810 168.976265 169.225456 169.296928 169.468359 169.624732 169.997791 170.255989 170.625465 170.985901 171.051230 171.440791 172.161065 172.258152 172.771534 172.857886 172.965579 173.030424 173.125910 173.322691 173.465416 173.601665 173.690580 173.862986 174.725146 175.437132 175.782461 175.898101 176.011227 177.129501 177.239085 177.629664 178.391933 178.507638 179.574184 179.820796 180.893560 181.128998 181.404320 181.788961 182.314193 182.866602 182.957851 183.494757 183.956624 184.439472 185.996171 186.316952 188.425101 189.782999 923.223743 923.416719 923.614657 923.869793 926.165480 926.528960 926.580157 926.955674 929.760477 930.119903 930.558796 931.400952 931.554715 931.632309 932.354892 932.576664 932.925603 934.013078 934.556745 934.803767 935.107741 935.550488 935.847801 936.308892 936.605116 936.846547 937.162885 937.528413 937.649437 937.849367 938.680842 938.823363 938.924898 940.069714 940.438130 940.796740 941.081069 941.475639 942.321016 943.898264 944.309467 945.032661 945.247979 945.801654 946.212936 946.757974 947.067505 948.137979 950.240188 950.593071 952.269447 952.416775 952.913675 953.390983 954.000269 954.489065 954.521096 955.061621 955.447555 956.189768 956.812590 957.114774 958.147431 968.708203 969.475599 970.511764 971.059709 971.683033 972.363891 974.730732 975.244093 978.699739 979.900065 981.978259 982.077601 982.264284 982.526680 982.718304 983.166672 48085.649056 48087.255815 82907.846221 82911.099737 82923.124818 82924.768750 82925.863281 82926.761703 82928.339028 82929.172703 82941.484746 82941.684301 82941.971675 82942.126204 82943.178388 82943.519652 82945.988921 82947.030855 82947.541784 82947.659911 82949.281507 82951.018453 82956.785742 82957.234576 -80.907384 -80.885592 -80.353372 -80.344543 -80.316264 -80.308373 -80.307706 -80.303366 -80.299664 -80.299290 -80.267863 -80.253681 -80.202333 -80.194629 -80.191277 -80.179246 -80.169381 -80.163410 -80.153666 -80.130118 -80.030132 -80.012593 -45.592186 -45.577143 -45.542106 -45.510677 -45.483425 -45.476275 -45.170905 -45.160511 -45.124048 -45.122000 -45.112921 -45.112615 -45.107375 -45.093168 -45.090990 -45.068173 -45.060038 -45.040222 -45.036507 -45.027924 -45.018605 -45.017661 -45.012685 -45.007735 -45.000308 -44.997987 -44.994003 -44.986546 -44.975357 -44.972770 -44.969572 -44.964048 -44.960402 -44.953127 -44.948378 -44.947189 -44.942092 -44.926120 -44.923113 -44.921132 -44.917693 -44.904979 -44.902448 -44.899625 -44.886088 -44.862141 -44.853109 -44.847681 -44.840157 -44.827840 -44.824824 -44.819428 -44.807024 -44.803737 -44.801089 -44.786564 -44.784110 -44.771751 -44.755321 -44.738316 -44.718442 -44.696470 -44.649911 -44.617688 -44.578483 -44.556499 -27.187733 -27.178094 -25.654505 -25.644552 -25.204756 -25.196916 -24.855127 -24.844436 -24.841486 -24.819172 -24.772518 -24.761376 -24.129955 -24.112855 -23.809574 -23.806782 -23.797942 -23.750184 -23.734434 -23.733428 -23.683858 -23.676078 -23.625254 -23.624528 -23.566474 -23.551607 -23.441320 -23.364063 -23.354596 -23.353981 -23.344310 -23.298678 -23.256679 -23.237015 -23.216457 -23.187713 -23.109349 -23.059263 -23.039617 -23.029896 -23.025994 -23.004852 -22.969550 -22.915610 -22.892902 -22.889251 -22.884052 -22.858541 -22.850927 -22.850099 -22.832243 -22.830234 -22.819704 -22.818468 -22.807703 -22.803240 -22.797287 -22.786272 -22.782059 -22.777908 -22.774830 -22.773507 -22.764643 -22.758483 -22.755028 -22.748786 -22.746435 -22.737234 -22.735664 -22.729925 -22.702432 -22.685601 -22.666467 -22.647636 -22.646279 -22.626506 -22.620506 -22.579674 -22.530372 -22.481737 -22.260142 -14.937170 -14.929176 -13.030948 -13.023126 -12.756721 -12.716752 -12.702820 -12.694963 -12.690451 -12.674507 -12.664638 -12.649474 -12.634447 -12.626613 -12.615730 -12.600086 -12.400656 -12.375649 -12.335400 -12.330603 -12.285954 -12.281700 -12.176747 -12.169307 -11.748493 -11.680042 -11.665865 -11.660203 -11.636645 -11.587796 -11.572002 -11.538282 -11.520759 -11.508931 -11.489010 -11.474914 -11.337515 -11.315572 -11.298915 -11.245907 -11.226798 -11.179260 -11.012911 -11.007338 -10.997921 -10.991451 -10.932868 -10.903389 -10.882481 -10.867636 -10.833464 -10.804143 -10.704011 -10.692156 -10.685086 -10.665978 -10.616460 -10.572683 -10.486737 -10.464176 -10.288626 -10.266903 -10.260897 -10.256063 -10.240040 -10.233228 -10.213971 -10.193352 -10.175930 -10.153868 -10.150641 -10.119922 -10.111882 -10.097504 -10.077184 -10.039579 -10.033261 -9.992099 -9.988720 -9.960702 -9.949785 -9.916597 -9.893053 -9.861658 -9.843424 -9.834921 -9.828084 -9.803316 -9.757997 -9.733190 -9.725307 -9.708919 -9.693353 -9.682525 -9.672883 -9.640463 -9.632213 -9.623127 -9.618775 -9.599248 -9.594336 -9.572886 -9.550363 -9.522658 -9.488632 -9.471749 -9.447249 -9.420712 -9.397636 -9.386742 -9.386087 -9.359947 -9.342622 -9.338346 -9.325785 -9.314477 -9.288503 -9.285018 -9.281210 -9.270677 -9.265300 -9.259728 -9.254576 -9.247046 -9.235915 -9.214560 -9.168226 -9.147598 -9.139459 -9.133900 -9.099353 -9.002166 -8.986108 -8.982049 -8.954534 -8.948558 -8.933930 -8.924246 -8.891961 -8.878247 -8.863524 -8.822476 -8.802706 -8.791577 -8.777917 -8.757903 -8.744818 -8.741631 -8.720827 -8.693798 -8.682650 -8.673083 -8.658952 -8.648149 -8.631162 -8.591333 -8.577506 -8.498311 -8.482316 -8.392701 -8.380773 -8.334405 -8.288565 -8.245602 -8.142948 -8.137677 -8.111118 -8.063626 -8.048476 -8.039947 -8.010629 -7.970515 -7.945043 -7.936506 -7.922149 -7.903098 -7.859515 -7.851065 -7.817594 -7.797337 -7.775838 -7.760687 -7.750985 -7.734079 -7.725848 -7.719618 -7.630479 -7.596234 -7.570513 -7.554403 -7.534994 -7.493724 -7.463638 -7.421144 -7.416334 -7.407213 -7.384008 -7.372516 -7.348478 -7.335845 -7.324833 -7.300045 -7.289164 -7.277209 -7.250232 -7.238756 -7.228359 -7.223628 -7.212622 -7.203168 -7.185248 -7.174795 -7.172429 -7.156765 -7.153751 -7.150794 -7.146478 -7.144385 -7.133676 -7.125345 -7.121775 -7.111306 -7.090615 -7.088448 -7.078802 -7.055406 -6.910928 -6.897873 -6.881485 -6.860620 -6.856622 -6.781696 -6.769763 -6.758211 -6.744643 -6.723961 -6.712445 -6.701551 -6.696319 -6.516116 -6.482849 -6.453169 -6.431946 -4.257149 -4.037537 -4.005871 -3.964446 -3.719330 -3.657961 -3.494153 -3.482062 -3.476704 -3.437482 -3.415576 -3.395542 -3.386256 -3.368861 -3.305775 -3.222927 -3.194145 -3.075676 -3.031516 -2.973217 -2.859738 -2.838051 -2.824813 -2.813326 -2.803715 -2.799150 -2.771987 -2.724536 -2.707185 -2.658616 -2.604887 -2.547662 -2.514952 -2.513002 -2.490826 -2.478603 -2.449243 -2.437501 -2.421703 -2.344856 -2.320425 -2.271355 -2.246116 -2.240994 -2.196745 -2.170340 -2.119527 -2.110630 -2.083429 -2.081488 -2.049544 -1.996992 -1.903708 -1.831786 -1.787720 -1.778409 -1.740128 -1.725273 -1.694138 -1.690015 -1.640042 -1.619608 -1.598485 -1.583537 -1.575660 -1.563186 -1.550845 -1.520964 -1.505075 -1.446217 -1.428568 -1.393621 -1.388925 -1.266204 -1.189974 -1.132757 -0.973312 -0.922580 -0.736961 -0.483206 -0.443616 -0.374925 -0.346035 -0.333604 -0.311907 -0.300458 -0.161484 -0.155201 -0.047751 -0.007068 0.117844 0.233851 0.263430 0.283871 0.296670 0.301654 0.325003 0.350198 0.354309 0.358792 0.375022 0.388266 0.414287 0.466214 0.474334 0.494967 0.532075 0.602894 0.614671 0.675658 0.696878 0.714055 0.754165 0.760051 0.864511 0.893444 0.912391 0.954497 0.965191 1.020632 1.087617 1.115179 1.224309 1.233555 1.248855 1.315423 1.349833 1.360416 1.383478 1.423088 1.471066 1.493877 1.542996 1.549244 1.605020 1.627509 1.773432 1.820481 1.824676 1.842612 1.919031 1.963467 1.998862 2.051118 2.104045 2.304629 2.337864 2.368985 2.381509 2.440935 2.464996 2.475648 2.539361 2.565770 2.626099 2.696428 2.745564 2.780102 2.811758 2.853071 2.872286 2.914628 3.016645 3.060956 3.111392 3.146080 3.157874 3.200267 3.241455 3.255764 3.282525 3.341937 3.496671 3.546718 3.564942 3.703665 3.733407 3.812954 3.850550 3.889504 3.977715 4.041934 4.059273 4.082285 4.086360 4.118326 4.191546 4.208829 4.239153 4.255878 4.278793 4.300243 4.344243 4.405224 4.462584 4.475500 4.535330 4.619258 4.631591 4.701682 4.720477 4.797593 4.824927 4.857785 4.960874 5.025183 5.035128 5.056731 5.081220 5.093800 5.224062 5.267696 5.305268 5.330912 5.351491 5.410480 5.432338 5.470043 5.516748 5.532081 5.550516 5.564796 5.610649 5.658375 5.779838 5.803496 5.822812 5.865432 5.894335 5.976416 6.042006 6.128282 6.156267 6.206664 6.228278 6.309326 6.358138 6.402431 6.505450 6.543720 6.547874 6.582003 6.596216 6.602785 6.646207 6.672763 6.687008 6.705192 6.779613 6.821303 6.861158 6.878628 6.960944 6.967181 6.986205 7.024655 7.064921 7.078152 7.091776 7.130698 7.168485 7.240302 7.243326 7.296707 7.322418 7.346566 7.371089 7.388197 7.469059 7.490959 7.542582 7.616259 7.643374 7.659840 7.697663 7.724660 7.758854 7.768148 7.930207 7.955167 7.968099 8.041124 8.086821 8.132146 8.138694 8.179650 8.255428 8.331226 8.359967 8.413617 8.484269 8.509440 8.549869 8.573021 8.627459 8.652306 8.665389 8.712263 8.743080 8.757417 8.776257 8.790251 8.827385 8.882431 8.907902 8.934450 8.977281 9.023324 9.086858 9.095134 9.157212 9.201441 9.212481 9.235665 9.253118 9.300792 9.333518 9.393944 9.446656 9.486572 9.517084 9.594685 9.633444 9.647251 9.667326 9.735630 9.754397 9.767986 9.780613 9.859977 9.891149 9.932179 9.964505 10.004469 10.044727 10.073979 10.109825 10.173421 10.211884 10.233732 10.247109 10.274481 10.332738 10.333579 10.399585 10.443733 10.506148 10.519488 10.560899 10.591082 10.622896 10.677038 10.721109 10.762003 10.808161 10.809742 10.878486 10.896043 10.961360 10.982310 11.046601 11.088008 11.143553 11.181671 11.212598 11.245758 11.299348 11.342689 11.365275 11.431877 11.458313 11.482401 11.541276 11.563789 11.606456 11.687787 11.694522 11.738579 11.754963 11.784759 11.892442 11.950694 12.071600 12.106835 12.153528 12.196993 12.230369 12.303981 12.383059 12.445281 12.478055 12.595695 12.636833 12.686659 12.691700 12.727878 12.789472 12.801727 12.834887 12.928760 12.951806 12.979188 13.022363 13.077450 13.411772 13.429715 13.523075 13.555142 13.614604 13.688362 13.732738 13.799481 13.849245 14.032704 14.163967 14.206155 14.270055 14.340482 14.403326 14.490872 14.648675 14.686432 14.700880 14.778992 14.785243 14.805019 14.867152 15.075783 15.138628 15.190074 15.208437 15.233367 15.337399 15.374336 15.539770 15.689749 15.733056 15.817839 15.922480 15.969948 16.001016 16.105264 16.183769 16.222934 16.303592 16.331591 16.425633 16.532078 16.583691 16.721779 16.790344 16.812184 16.860452 16.884016 16.974833 17.086762 17.139265 17.244811 17.259024 17.268960 17.303175 17.317045 17.360217 17.383568 17.462906 17.517697 17.542751 17.616291 17.643554 17.671804 17.730907 17.773982 17.830103 17.865498 17.912789 17.973387 18.002200 18.038212 18.092101 18.136837 18.151669 18.181324 18.300586 18.345651 18.352853 18.426938 18.549448 18.591555 18.611975 18.708704 18.739505 18.833535 18.891853 19.016159 19.037336 19.095078 19.143693 19.174035 19.199693 19.295602 19.386706 19.458654 19.486132 19.535302 19.549569 19.653125 19.680590 19.730050 19.811400 19.853592 19.860213 19.907940 19.990853 20.019689 20.062349 20.099892 20.136772 20.179119 20.202792 20.244579 20.277078 20.301650 20.381134 20.451666 20.478954 20.500741 20.566938 20.599162 20.690215 20.702472 20.761169 20.815046 20.865673 20.888614 20.914908 20.967375 21.043156 21.064532 21.218440 21.245135 21.314582 21.329563 21.353540 21.377253 21.412560 21.502683 21.534925 21.632442 21.701426 21.740156 21.845923 21.881214 22.020881 22.089116 22.149718 22.159804 22.191778 22.264087 22.333730 22.383137 22.440150 22.496338 22.552116 22.573584 22.715409 22.770903 22.831796 22.856652 22.937055 22.950145 22.994643 23.033469 23.080980 23.136286 23.216496 23.283302 23.350277 23.413595 23.466935 23.486829 23.519425 23.593999 23.617514 23.729800 23.787938 23.800201 23.854971 24.004018 24.010846 24.077751 24.085235 24.098555 24.165304 24.340799 24.460725 24.461746 24.506321 24.606373 24.643711 24.705368 24.788338 24.981161 25.033874 25.157488 25.234658 25.284352 25.303274 25.350766 25.495846 25.531222 25.558356 25.585424 25.645378 25.671903 25.694428 25.741899 25.775878 25.910486 25.962681 26.014423 26.070839 26.134912 26.179122 26.315168 26.324375 26.344997 26.398883 26.466670 26.469028 26.564226 26.575854 26.647509 26.660806 26.738967 26.743264 26.803409 26.911690 26.930117 26.953643 26.998107 27.015047 27.044617 27.123233 27.138524 27.303154 27.320920 27.347791 27.385187 27.452257 27.463908 27.563186 27.749884 27.758108 27.780633 27.846359 27.852896 27.895251 27.991150 28.001656 28.015524 28.034613 28.137919 28.154879 28.214113 28.221898 28.240992 28.325344 28.386586 28.411710 28.441813 28.493663 28.586441 28.618693 28.687718 28.722941 28.791444 28.817599 28.879006 28.897547 28.934491 28.957401 29.025584 29.072957 29.136577 29.172433 29.237918 29.259665 29.270678 29.311409 29.380544 29.440798 29.488672 29.505495 29.547842 29.561705 29.585416 29.659488 29.690200 29.724178 29.767270 29.809319 29.869353 29.903695 29.927931 29.980456 29.989381 30.021175 30.059747 30.113268 30.129571 30.250650 30.268138 30.302087 30.362685 30.447358 30.503832 30.574552 30.629660 30.660613 30.695686 30.723772 30.787912 30.828207 30.851020 30.913046 30.962921 30.994003 31.032377 31.111584 31.153016 31.179315 31.217724 31.225029 31.256519 31.265409 31.312052 31.347419 31.401801 31.430433 31.517368 31.521720 31.551724 31.637775 31.676357 31.709412 31.776762 31.859776 31.885103 31.908847 31.946267 32.056620 32.073864 32.092261 32.180184 32.202510 32.242876 32.294576 32.319660 32.391351 32.412341 32.454078 32.500385 32.514894 32.555550 32.567503 32.582991 32.605661 32.638475 32.665858 32.704244 32.725266 32.761972 32.782729 32.831162 32.834557 32.849007 32.874780 32.897739 32.913438 32.935376 32.970790 33.004153 33.006852 33.081183 33.098406 33.124646 33.206752 33.283998 33.324365 33.340902 33.374761 33.393012 33.428836 33.452260 33.481825 33.536563 33.579424 33.601136 33.626270 33.662968 33.685107 33.718862 33.746850 33.801988 33.843512 33.864790 33.898497 33.916154 33.983274 33.984826 34.046305 34.055313 34.070939 34.108547 34.122353 34.150138 34.166520 34.238449 34.247622 34.271782 34.289154 34.318406 34.351633 34.397769 34.451274 34.497119 34.523622 34.555358 34.578691 34.594777 34.610410 34.651103 34.698773 34.711941 34.774637 34.806313 34.815247 34.830661 34.902415 34.917839 34.939817 34.980224 35.049571 35.069188 35.094667 35.124772 35.135365 35.187614 35.216165 35.259311 35.271328 35.310445 35.321334 35.347899 35.452582 35.465724 35.569238 35.597989 35.668819 35.755157 35.796718 35.881280 35.892031 35.906747 35.942491 35.989808 36.013583 36.030108 36.054858 36.072531 36.124346 36.141833 36.175860 36.211436 36.226551 36.297532 36.314856 36.378062 36.403344 36.441495 36.501502 36.516135 36.552581 36.626526 36.643341 36.697451 36.709854 36.756384 36.776732 36.834910 36.866926 36.886397 36.890868 36.946111 36.977906 37.008929 37.020937 37.044399 37.162343 37.171746 37.209698 37.241992 37.265285 37.280297 37.358376 37.385852 37.428457 37.442436 37.476117 37.507426 37.518877 37.536242 37.582833 37.599507 37.658322 37.750704 37.785038 37.920043 37.993713 38.061264 38.111054 38.134382 38.236835 38.260373 38.447220 38.494625 38.584016 38.604087 38.625658 38.726812 38.766738 38.877537 38.965184 39.035020 39.071484 39.181024 39.245797 39.314468 39.362842 39.383663 39.421218 39.522044 39.574496 39.653329 39.678139 39.719399 39.742556 39.784792 39.811927 39.817849 39.893312 39.903116 39.975476 40.049857 40.064661 40.095778 40.180131 40.253676 40.267488 40.349802 40.398485 40.427789 40.485170 40.503019 40.647401 40.657545 40.750332 40.792961 40.843341 40.859439 40.897390 41.007173 41.047008 41.087042 41.091821 41.142960 41.200723 41.228398 41.263595 41.368314 41.430391 41.446141 41.454684 41.495222 41.576239 41.644485 41.671082 41.788521 41.874653 41.931100 41.958259 42.022524 42.116681 42.201325 42.214262 42.285024 42.310944 42.347277 42.465862 42.501607 42.535522 42.597452 42.663249 42.682133 42.715601 42.828187 42.846817 42.928949 42.984332 43.130562 43.156681 43.286329 43.379204 43.438796 43.521183 43.564743 43.606898 43.646318 43.660020 43.691114 43.765281 43.859742 43.915858 43.957578 44.070369 44.090098 44.158135 44.179111 44.234289 44.311461 44.453417 44.561536 44.574451 44.623006 44.706157 44.755374 44.848320 44.890800 44.906266 44.978293 45.027570 45.050335 45.119365 45.248329 45.381764 45.529896 45.559259 45.635073 45.665540 45.741540 45.762997 45.835920 45.895611 46.112599 46.184498 46.214925 46.225215 46.340658 46.375521 46.528901 46.580317 46.748151 46.780818 46.833207 46.976816 47.013956 47.189162 47.263956 47.330653 47.453668 47.511579 47.664258 47.774583 47.917579 47.944145 47.997801 48.056057 48.104400 48.311709 48.492317 48.608248 48.624629 48.707847 48.759546 48.879056 48.899925 49.108255 49.136079 49.171457 49.395521 49.465949 49.631538 49.649812 49.700959 49.725702 49.876745 49.980605 50.102431 50.139193 50.248201 50.350592 50.359745 50.455258 50.510273 50.583562 50.699288 50.738307 50.865832 51.088069 51.169245 51.283276 51.318160 51.357045 51.423387 51.469811 51.510453 51.599597 51.688197 51.753612 51.808247 51.823287 51.928253 51.960996 52.022580 52.069900 52.208223 52.261120 52.306427 52.419243 52.453943 52.497749 52.546227 52.594168 52.619858 52.713916 52.776772 52.813681 52.871031 52.966067 53.133349 53.163311 53.229390 53.292777 53.345207 53.515580 53.550968 53.639665 53.717165 53.815425 53.824338 53.933311 54.009870 54.051016 54.189101 54.254787 54.302666 54.367166 54.421659 54.534672 54.635613 54.749243 54.793026 54.835284 54.943478 55.018144 55.115462 55.150051 55.170892 55.202509 55.209142 55.367270 55.447599 55.533200 55.641559 55.686272 55.726931 55.787461 56.016926 56.064163 56.125279 56.176549 56.230778 56.287333 56.436537 56.645146 56.661506 56.738513 56.872682 56.903752 57.032965 57.092538 57.173197 57.241247 57.306373 57.376140 57.386477 57.496336 57.515210 57.784050 57.821260 57.891362 57.959889 58.098974 58.106732 58.208738 58.230818 58.304396 58.332649 58.413248 58.462400 58.517492 58.547395 58.635834 58.682792 58.827621 58.858462 58.927431 59.025797 59.094984 59.289483 59.312618 59.433864 59.502622 59.553823 59.575014 59.721054 59.772740 59.820648 59.921541 59.939565 60.093432 60.176786 60.330839 60.353785 60.392697 60.488585 60.626213 60.644506 60.735226 60.857017 60.882148 60.960805 60.963720 61.081343 61.224886 61.363260 61.440669 61.621427 61.757661 61.803294 61.967233 62.085973 62.123320 62.568572 62.729288 62.783479 62.978794 63.532029 63.674717 63.743304 63.978363 64.193863 64.211801 64.334406 64.557519 64.628899 64.704806 64.745673 64.814666 65.049503 65.346201 65.450577 65.546843 65.653322 65.918669 66.084007 66.202549 66.277807 66.469385 66.592924 66.720696 66.784011 66.948509 67.072672 67.123762 67.147628 67.214794 67.287979 67.369799 67.398905 67.608583 67.644810 67.676626 67.709814 67.830496 67.932934 68.026544 68.070321 68.319354 68.488669 68.586009 68.651701 68.779712 68.786175 68.869657 69.000044 69.414243 69.455267 69.538770 70.357693 70.699516 70.778059 70.868304 71.146506 71.368999 71.411174 71.994427 72.230039 72.420366 72.557682 73.224781 73.841907 73.896495 74.131552 74.346349 74.465633 74.588676 74.779564 75.294875 75.823541 75.880429 75.994365 76.370261 76.922428 77.174643 77.238310 77.815696 77.876830 77.954540 78.068477 78.332236 78.548533 78.694156 78.834176 79.204051 79.395217 79.714526 79.908114 80.211586 80.922439 81.232614 81.454854 81.866450 82.065269 82.182138 82.828451 83.211335 83.406739 83.540896 83.648883 83.973784 84.094284 84.155515 84.334770 84.363480 84.641906 84.795088 84.818955 85.073164 85.321802 85.577300 86.295314 86.422276 86.683135 86.861653 87.083015 87.108372 90.252783 90.711170 91.314472 91.517255 91.638261 91.814953 91.859752 91.974353 93.904626 94.337693 103.048223 103.300642 103.362243 103.488717 103.573523 103.742162 103.755114 103.991901 104.121088 104.273759 104.348179 104.838159 104.933772 105.062035 105.426461 105.815429 106.639481 106.820403 106.919372 106.968441 107.158702 107.817114 120.242572 121.006220 121.677571 121.742131 122.257136 122.467680 122.494305 122.598977 122.776869 122.835658 123.388182 123.479964 123.733267 124.168782 124.256935 124.551035 124.558865 124.764117 124.813718 124.912418 125.106473 125.338436 125.639937 125.985176 126.105639 126.536159 126.631935 126.872475 126.923203 126.992883 127.242445 127.397375 127.554629 127.635339 127.714072 127.827205 127.987177 128.048134 128.059208 128.215418 128.317599 128.470694 128.584843 128.722852 128.976404 129.059757 129.148757 129.210133 129.523358 129.613030 130.177678 130.216164 130.270473 130.514479 130.675221 130.735738 130.811572 130.902830 131.037903 131.122621 131.181669 131.252162 131.485158 131.598906 131.660229 131.724746 131.914967 132.008578 132.079637 132.099615 132.163475 132.261057 132.270652 132.410601 132.491353 132.584299 132.602151 132.692063 132.969472 133.029389 133.071325 133.259851 133.323579 133.535668 133.636372 133.756821 133.857702 133.929492 134.037472 134.085037 134.242047 134.342233 134.403243 134.478810 134.684817 134.951273 135.060382 135.429559 135.591979 135.669168 135.788479 135.969475 136.214237 136.616188 136.641253 136.810728 136.986469 137.159245 137.357042 137.448642 137.618397 137.770955 137.915350 138.190701 138.319007 138.471699 138.660570 138.822070 139.357353 139.401442 139.495614 139.604010 139.882344 140.031972 140.160304 140.292251 140.379187 140.542578 140.683733 140.882377 140.912831 141.157977 141.427817 141.604899 141.667019 141.757795 141.972946 142.089715 142.553746 142.896590 142.971981 143.378253 143.412108 143.623599 143.741118 144.000618 144.087045 144.462108 144.569950 144.653047 144.684904 144.852902 145.349976 145.445234 145.543913 145.955095 146.303569 146.481218 146.544944 146.691773 146.831101 147.082273 147.244127 147.556626 147.696619 147.817494 147.857078 148.103870 148.184419 148.297324 148.427380 148.467296 148.491032 148.774651 149.082948 149.198055 149.272443 149.488236 149.622404 149.791087 150.081627 150.416109 151.449753 151.579281 151.679581 152.008992 152.262053 152.461501 152.728331 152.934796 153.124989 153.277040 153.392677 153.448244 153.630179 153.875983 154.055536 154.140331 154.352702 154.460169 154.546516 154.573415 154.838834 154.859499 154.930123 155.175972 155.547811 155.605961 155.752312 155.853476 155.921413 156.145042 156.169184 156.441526 156.497715 156.648155 156.835045 156.887928 156.922003 157.040113 157.426789 157.675205 158.127129 158.379896 158.442541 158.538108 158.739676 159.062759 159.429592 159.681837 160.107354 160.135814 160.664224 161.135216 162.307408 162.701150 162.837553 163.196421 163.740661 164.997333 165.206850 165.445132 165.633121 165.974177 166.084312 166.447494 166.807550 166.940386 167.775368 167.897574 167.925144 168.137873 168.692869 168.934967 169.071326 169.315493 169.390115 169.556363 169.718638 170.090743 170.346822 170.716418 171.080675 171.154087 171.567072 172.291678 172.355331 172.857867 172.947200 173.053814 173.130235 173.214475 173.409168 173.554505 173.684895 173.783377 173.965261 174.839291 175.536380 175.887782 175.991321 176.109807 177.229152 177.329567 177.718776 178.517778 178.599082 179.678157 179.919522 180.988896 181.227512 181.499986 181.883737 182.408612 182.976047 183.054476 183.601387 184.053323 184.545940 186.092259 186.417510 188.529416 189.903798 925.480970 925.673123 925.871144 926.128066 928.432470 928.802517 928.867675 929.234080 932.046792 932.441506 932.901558 933.690518 933.842346 933.925881 934.678304 934.876818 935.223583 936.316031 936.880997 937.125590 937.421306 937.865681 938.155284 938.619379 938.919591 939.158322 939.481118 939.844686 939.965327 940.168485 941.001817 941.140299 941.244815 942.406434 942.762928 943.137065 943.411077 943.810565 944.662608 946.248772 946.666076 947.388920 947.620682 948.149652 948.565783 949.120485 949.432408 950.504526 952.638735 952.975397 954.651143 954.790677 955.299931 955.802890 956.384467 956.871121 956.902815 957.448735 957.841853 958.582335 959.203976 959.512476 960.607383 971.154542 971.920479 972.960882 973.501065 974.128987 974.838252 977.190055 977.702914 981.182152 982.403464 984.464490 984.563840 984.749469 985.022440 985.205072 985.662310 55226.457752 55228.430980 105112.135317 105116.728118 105133.702149 105136.024766 105137.570499 105138.844033 105141.099840 105142.280844 105159.636870 105159.928581 105160.311624 105160.523811 105162.024369 105162.504322 105165.987101 105167.459430 105168.175648 105168.344491 105170.632150 105173.083661 105181.231718 105181.857727</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="4454">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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="4454">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B B</array>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-33.51518915</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-911.995185</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-6</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000122271</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00114531850297</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00037037771597</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 W 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 W 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">2.4404 2.4620 2.4543 2.4526 2.4023 -0.7569 -0.9515 2.5243 0.3149 1.9894 -0.7554 2.4467 -0.9350 -0.9572 -0.9423 -0.9526 -0.9488 -0.9785 -0.7833 -0.9463 -0.9458 -0.9497 -0.9901 -0.9231 -0.9502 -1.0094 -1.0162 -0.9995 -0.9237 -0.7479 -0.9240 -0.7535 -0.9284 -1.0267 -0.7517 2.4517 -0.7565 2.4206 2.4106 -1.0270 2.4424 2.4517 -1.0110 2.4507 -0.9494 2.4176 -0.9460 -0.9458 2.4103 2.4458 0.9038 2.4553 -0.7904 -0.7555 2.5293 -0.9367 -0.9351 2.4515 -0.9428 -0.9499 -0.9467 -0.9485 -0.9506 -0.9471 -1.0141 -0.7472 -0.7883 -0.9476 -0.9467 -0.9161 -0.9390 2.4388 2.4636 2.4601 2.4519 2.3991 -0.9719 -1.0014 -0.7247 -1.0115 -0.9315 -0.9380 0.9009 -1.0279 -0.7547 2.1039 -0.7541 -0.7470 -1.0269 -0.9242 -0.9218 -0.9179 -0.7542 -0.7509 -0.7945 -0.7526 -0.7538 -0.9405 -0.9496 -0.9479 -0.9508 -0.7495 -0.9867 -0.9280 -0.9486 -0.9447 -0.7241 -0.9469 0.3156</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">-0.0471 -0.0009 -0.0245 -0.0000 -0.0164 0.0186 0.0052 -0.0077 0.0001 1.8079 0.0108 0.0019 -0.0042 -0.0068 -0.0036 -0.0000 0.0051 -0.0048 0.0242 -0.0013 -0.0023 0.0042 0.0369 0.0002 0.0002 -0.0044 0.2199 -0.0004 0.0405 0.0009 0.0004 0.0004 0.0419 0.0005 0.0033 0.0120 0.0181 0.0723 0.1928 0.0005 0.2225 0.0553 0.1013 0.0132 0.0043 0.0742 -0.0023 -0.0015 0.1934 0.2255 0.0023 0.0528 0.0245 0.0110 0.0068 -0.0044 0.0724 0.0023 -0.0036 -0.0064 -0.0152 0.0329 0.0313 -0.0207 0.1047 -0.0123 0.0070 0.0113 0.0060 0.0090 0.0761 -0.0483 -0.0009 -0.0241 -0.0001 -0.0175 0.0085 -0.0006 0.0003 -0.0042 0.0014 -0.0038 0.0027 -0.0003 -0.0010 2.3580 -0.0035 0.0009 -0.0003 0.0108 0.0000 0.0003 0.0004 0.0034 0.0076 -0.0037 -0.0011 -0.0035 -0.0155 -0.0024 0.0314 -0.0127 0.0343 0.0003 -0.0019 0.0117 0.0002 0.0055 -0.0000</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">1.0517 1.0535 1.0520 1.0520 1.0520 1.0532 1.0533 1.0533 1.0547 1.0557 0.9874 0.9872 0.9741 0.9738 1.0525 1.0528 0.2920 0.2919 0.1624 0.1312 0.9874 0.9873 0.2531 0.2528 0.9688 0.9688 0.9719 0.9720 0.9738 0.9738 0.9733 0.9733 0.9742 0.9738 0.9692 0.9695 0.9875 0.9872 0.9676 0.9675 0.9726 0.9726 0.9676 0.9672 0.9721 0.9724 0.9738 0.9738 0.9669 0.9669 0.9449 0.9452 0.9812 0.9742 0.9468 0.9468 0.9767 0.9774 0.9874 0.9874 0.9699 0.9699 0.9867 0.9867 0.9769 0.9777 0.9463 0.9463 0.9871 0.9870 1.0534 1.0532 0.9875 0.9872 1.0531 1.0509 1.0584 1.0517 0.9465 0.9465 1.0535 1.0464 1.0533 1.0512 0.9721 0.9727 1.0534 1.0532 0.9675 0.9672 1.0533 1.0511 0.9726 0.9725 0.9676 0.9675 1.0588 1.0521 1.0538 1.0465 1.0244 1.0245 1.0519 1.0499 0.9878 0.9875 0.9874 0.9872 1.0532 1.0533 0.9686 0.9686 0.9772 0.9780 0.2522 0.2517 0.9676 0.9680 0.9730 0.9735 0.9728 0.9741 0.9729 0.9726 0.9722 0.9720 0.9659 0.9676 0.9720 0.9725 0.9875 0.9878 0.9874 0.9874 0.9735 0.9737 0.9674 0.9676 0.9712 0.9715 0.9774 0.9781 1.0518 1.0536 1.0512 1.0511 1.0520 1.0531 1.0537 1.0537 1.0544 1.0554 0.9675 0.9688 0.9467 0.9467 0.9444 0.9444 0.9448 0.9446 0.9728 0.9729 0.9742 0.9742 1.0247 1.0248 0.9463 0.9463 0.9868 0.9868 0.1723 0.1306 0.9866 0.9867 0.9875 0.9875 0.9461 0.9461 0.9693 0.9697 0.9739 0.9741 0.9711 0.9711 0.9866 0.9866 0.9870 0.9869 0.9876 0.9877 0.9868 0.9869 0.9867 0.9867 0.9679 0.9683 0.9725 0.9738 0.9674 0.9677 0.9722 0.9720 0.9873 0.9876 0.9723 0.9728 0.9730 0.9730 0.9673 0.9677 0.9736 0.9738 0.9443 0.9443 0.9674 0.9676 0.2916 0.2916</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="218">3.0568 3.0586 3.0558 3.0560 3.0677 3.0680 3.0576 3.0577 3.0644 3.0653 2.3824 2.3639 2.4882 2.4827 3.0593 3.0596 0.0506 0.0506 -0.1476 -0.1545 2.3777 2.3670 0.6096 0.6082 2.4822 2.4864 2.4881 2.4947 2.4803 2.4838 2.4872 2.4871 2.4866 2.4813 2.5027 2.5070 2.3986 2.3744 2.4901 2.4912 2.4834 2.4856 2.4946 2.4901 2.5225 2.4883 2.4728 2.4726 2.4936 2.4934 2.5378 2.5431 2.6196 2.4186 2.5334 2.5338 2.4867 2.4475 2.3690 2.3681 2.4783 2.4779 2.3724 2.3720 2.4895 2.4490 2.5476 2.5471 2.3724 2.3691 3.0596 3.0576 2.3819 2.3640 3.0650 3.0607 3.0624 3.0545 2.5476 2.5471 3.0696 3.0581 3.0569 3.0548 2.5664 2.4707 3.0596 3.0575 2.4945 2.4899 3.0655 3.0611 2.4836 2.4857 2.4897 2.4911 3.0621 3.0543 3.0692 3.0577 2.9842 2.9833 3.0564 3.0543 2.4019 2.3775 2.3780 2.3670 3.0610 3.0591 2.4833 2.4876 2.5086 2.4397 0.6079 0.6065 2.4871 2.4910 2.4821 2.4889 2.4749 2.4915 2.5017 2.4697 2.5030 2.4724 2.4794 2.5017 2.5697 2.4708 2.3616 2.3738 2.3924 2.3853 2.4896 2.4790 2.4939 2.4881 2.4766 2.4679 2.5123 2.4399 3.0567 3.0586 3.0556 3.0558 3.0667 3.0671 3.0573 3.0574 3.0648 3.0657 2.5048 2.4984 2.5343 2.5349 2.4021 2.4018 2.5388 2.5444 2.4785 2.4772 2.4775 2.4813 2.9853 2.9842 2.5478 2.5482 2.3722 2.3732 -0.1473 -0.1554 2.3707 2.3742 2.3684 2.3675 2.5474 2.5478 2.4837 2.4733 2.4717 2.4718 2.4738 2.4735 2.3728 2.3725 2.3721 2.3688 2.3955 2.3878 2.3697 2.3733 2.3718 2.3728 2.4856 2.4894 2.4767 2.4936 2.4904 2.4932 2.5032 2.4724 2.3627 2.3754 2.5194 2.4875 2.4760 2.4758 2.4911 2.4933 2.4881 2.4772 2.4019 2.4017 2.4938 2.4885 0.0506 0.0506</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="218">1.6457 1.6892 1.6586 1.6594 1.6389 1.6619 1.6607 1.6606 1.6695 1.6841 0.0179 0.0180 0.0161 0.0167 1.6203 1.6273 0.0000 0.0000 3.3944 1.6247 0.0180 0.0180 0.4149 0.4147 0.0144 0.0144 0.0152 0.0153 0.0152 0.0153 0.0158 0.0158 0.0161 0.0167 0.0149 0.0151 0.0177 0.0179 0.0149 0.0151 0.0157 0.0159 0.0148 0.0154 0.0188 0.0159 0.0150 0.0151 0.0147 0.0147 0.0197 0.0187 0.0173 0.0053 0.0194 0.0194 0.0187 0.0166 0.0181 0.0181 0.0139 0.0140 0.0178 0.0178 0.0187 0.0166 0.0198 0.0197 0.0180 0.0180 1.6651 1.6553 0.0179 0.0181 1.7056 1.6400 1.7683 1.5901 0.0197 0.0197 1.7649 1.5610 1.6896 1.6384 0.0176 0.0114 1.6661 1.6553 0.0148 0.0154 1.7074 1.6399 0.0157 0.0159 0.0149 0.0151 1.7687 1.5898 1.7648 1.5581 0.0362 0.0347 1.6884 1.6396 0.0177 0.0179 0.0179 0.0180 1.6226 1.6176 0.0143 0.0144 0.0179 0.0136 0.4153 0.4149 0.0149 0.0142 0.0166 0.0158 0.0180 0.0154 0.0161 0.0155 0.0157 0.0152 0.0179 0.0146 0.0176 0.0115 0.0183 0.0182 0.0179 0.0179 0.0164 0.0155 0.0150 0.0147 0.0148 0.0141 0.0178 0.0134 1.6459 1.6905 1.6588 1.6596 1.6372 1.6598 1.6610 1.6609 1.6705 1.6860 0.0179 0.0146 0.0194 0.0194 0.0160 0.0160 0.0200 0.0188 0.0152 0.0149 0.0154 0.0155 0.0365 0.0348 0.0196 0.0196 0.0179 0.0179 3.6021 1.2939 0.0179 0.0179 0.0181 0.0181 0.0197 0.0197 0.0145 0.0138 0.0153 0.0150 0.0142 0.0142 0.0178 0.0178 0.0180 0.0180 0.0179 0.0179 0.0179 0.0179 0.0179 0.0179 0.0150 0.0143 0.0179 0.0152 0.0150 0.0143 0.0157 0.0152 0.0183 0.0182 0.0188 0.0159 0.0150 0.0151 0.0149 0.0143 0.0164 0.0155 0.0160 0.0160 0.0150 0.0147 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="218">0.0021 0.0021 0.0021 0.0021 0.0020 0.0020 0.0021 0.0021 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 0.0020 0.0020 0.0020 0.0020 0.0000 0.0000 0.0020 0.0020 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 0.0020 0.0020 0.0020 0.0020 0.0045 0.0044 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 0.0021 0.0021 0.0021 0.0020 0.0020 0.0021 0.0021 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0045 0.0044 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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">-23.268</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="21">15.43 14.67 10.48 9.49 8.09 4.29 3.18 2.87 2.86 2.71 2.35 2.13 2.04 1.80 1.72 1.62 1.41 1.29 1.28 1.22 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S S D:yz 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 -24.020 -4.492 -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 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">72 92 64 61 59 91 65 83 76 60 93 51 84 62 69 71 70 9 15 101 98</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 W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.263</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">12.30 10.92 9.26 8.97 8.62 6.76 4.36 4.35 3.39 3.24 3.12 3.10 2.97 2.75 2.42 2.26</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 44 85 46 96 42 97 54 34 33 26 52 53 35 57 37</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">-23.230</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="19">8.12 7.94 7.74 6.83 6.62 6.39 6.01 5.49 5.49 4.87 3.99 3.86 3.83 3.37 2.61 2.29 1.66 1.51 1.28</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 D:x2-y2 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 -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 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">38 46 57 52 26 42 35 96 36 31 30 29 24 28 77 44 22 85 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.224</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="20">11.01 7.93 7.81 7.69 6.62 6.45 5.06 4.88 4.87 4.07 3.25 3.19 2.95 2.80 2.63 2.62 2.49 2.46 1.34 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">S S S S S S S S S S S S S S S S S S D:z2 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 -4.492 -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 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">83 76 70 71 69 65 101 63 94 93 92 59 84 91 51 61 98 58 17 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.117</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">11.68 9.47 8.97 7.18 6.73 5.98 4.88 4.58 4.51 3.59 3.43 3.35 3.33 2.69 2.61 2.41 2.21 1.69 1.27 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">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">34 53 37 52 35 97 30 24 42 96 54 85 46 33 81 36 43 44 49 55 23</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">-23.083</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="12">23.88 18.29 12.68 7.06 4.75 4.30 4.14 3.94 2.39 2.35 1.70 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">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">62 60 72 64 99 63 94 68 79 90 58 71</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">-23.059</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="24">10.51 8.84 7.80 6.62 6.00 5.41 5.28 4.84 4.36 4.06 3.57 3.08 3.05 2.66 2.58 2.43 2.37 2.19 1.94 1.64 1.39 1.26 1.21 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">84 94 70 99 58 93 63 69 68 76 51 66 98 101 71 95 88 83 25 65 89 67 56 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.055</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="15">12.90 12.29 10.17 8.93 6.97 6.45 5.61 5.38 4.42 3.19 2.95 2.53 1.69 1.53 1.23</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 -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">97 37 44 85 46 42 36 96 53 27 33 34 28 77 54</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">-23.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">129</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">14.22 10.94 10.05 9.15 7.95 7.12 6.96 4.46 4.19 3.96 2.98 2.13 1.77 1.51 1.29 1.09</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">54 33 30 34 24 42 53 35 52 46 96 36 85 81 45 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.011</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">130</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">16.22 11.98 11.25 6.29 4.73 4.73 4.33 4.14 4.03 3.15 2.65 1.92 1.88 1.86 1.50 1.43 1.41 1.22 1.14 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 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">31 27 29 38 46 53 33 48 87 42 24 77 28 34 32 36 55 54 104 44 26 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.001</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="24">9.14 7.20 6.93 6.52 6.04 5.98 5.96 5.75 5.50 5.05 4.73 3.57 2.44 1.88 1.85 1.66 1.62 1.54 1.44 1.33 1.26 1.16 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">S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">83 70 63 76 68 98 58 71 84 101 62 65 99 60 72 94 69 61 64 67 92 93 56 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">-22.953</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="18">11.10 9.43 9.33 9.07 8.93 8.32 5.08 4.45 3.55 3.49 3.26 2.69 2.49 1.89 1.65 1.63 1.44 1.26</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">58 66 94 68 51 93 63 101 98 69 99 71 89 91 61 59 70 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.939</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="20">11.45 9.38 8.99 8.94 8.71 6.79 5.94 4.63 4.31 4.23 3.74 2.91 2.42 1.80 1.66 1.54 1.54 1.48 1.47 1.29</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 -5.054 -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">91 71 65 61 59 92 95 99 63 51 98 105 58 80 60 101 69 83 66 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">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">-22.904</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="16">8.26 7.25 7.23 7.10 6.99 6.44 6.18 6.05 5.50 5.11 5.09 4.67 4.63 4.44 4.41 3.72</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">46 42 36 96 97 37 54 34 44 52 33 35 85 53 30 24</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">-22.891</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="19">22.82 10.80 10.11 7.95 7.19 6.26 5.38 2.84 2.18 2.16 1.79 1.72 1.71 1.31 1.21 1.09 1.06 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S D:yz 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 -4.492 -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 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">81 77 43 26 28 38 57 27 42 31 29 85 45 34 96 21 46 55 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.874</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">11.57 11.11 9.00 8.44 7.83 7.77 4.63 3.66 3.54 3.37 2.97 2.78 2.77 2.54 1.94 1.88 1.85 1.48 1.13 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">72 62 84 99 64 70 95 51 93 60 76 94 66 83 68 65 58 69 98 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">-22.860</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="15">64.43 4.20 3.34 3.31 2.02 1.60 1.57 1.43 1.38 1.38 1.25 1.17 1.05 1.04 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 D:x2-y2 S S S S S S S S S P:x D:xz</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 -43.144 -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">66 84 70 14 59 51 91 92 69 101 94 99 88 14 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O W O O O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.849</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="14">37.15 32.92 3.30 2.83 1.73 1.44 1.42 1.41 1.31 1.25 1.15 1.12 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S D:z2 S S D:x2-y2 S S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               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 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">81 43 53 87 57 4 44 48 21 85 28 21 34 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O W O O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.836</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="15">62.92 5.13 3.45 2.50 2.25 1.55 1.48 1.45 1.44 1.38 1.23 1.22 1.21 1.18 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 D:xy S S S S S S S D:x2-y2 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 -4.492 -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 0.80 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">95 83 76 9 91 25 69 63 68 94 88 9 61 101 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O W 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">-22.834</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="22">11.65 9.70 8.47 8.46 6.97 4.97 4.86 4.45 3.69 3.08 2.92 2.69 2.59 2.15 1.94 1.89 1.67 1.66 1.52 1.41 1.18 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">S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">27 55 43 38 31 34 29 53 96 24 36 46 33 32 42 30 48 81 77 28 97 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">-22.827</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="17">25.91 15.60 8.29 5.04 4.66 4.42 4.03 3.45 2.73 2.62 2.37 2.14 2.02 2.01 1.32 1.22 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 D:z2 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 81 26 77 57 42 45 55 29 87 38 46 31 28 4 37 53</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">-22.822</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="13">31.58 21.38 8.76 3.96 1.93 1.42 1.40 1.29 1.27 1.23 1.15 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S D:yz 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 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">48 87 55 32 1 34 83 68 76 63 31 86 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.821</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="24">7.11 6.07 5.77 5.57 5.41 4.95 4.94 4.91 4.81 4.73 3.70 3.53 3.50 3.42 3.12 3.11 2.69 2.58 2.24 2.00 1.85 1.24 1.19 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">S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">83 48 68 87 76 95 88 71 66 63 101 69 98 70 94 99 93 84 65 61 58 89 92 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">144</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">67.04 3.87 2.92 2.59 2.55 2.28 1.52 1.44 1.35 1.21 1.08 1.00 1.00</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 D:z2 S S S S S S S S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 0.80 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">88 15 89 90 80 76 79 67 61 65 68 63 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.809</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="10">48.95 21.22 7.80 2.48 1.62 1.58 1.56 1.42 1.37 1.28</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 D:yz S S S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -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="10">2.00 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="10">87 48 55 18 38 53 27 81 1 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.800</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="10">48.53 21.02 4.09 3.20 2.33 2.21 1.56 1.55 1.55 1.41</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S D:xy S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">55 48 31 29 20 32 81 33 43 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.790</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="14">40.20 18.62 6.67 4.95 3.02 2.82 2.44 2.28 1.99 1.63 1.57 1.34 1.32 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">S S S S D:z2 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 -4.492 -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 0.80 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">89 67 88 80 11 92 69 90 101 95 68 99 56 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O 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">-22.780</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="16">29.86 20.23 10.12 3.36 2.90 2.75 2.63 2.52 2.46 2.25 1.55 1.39 1.30 1.26 1.12 1.09</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 D:xy 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 -4.492 -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 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">45 86 32 89 54 28 67 55 79 43 37 97 2 90 87 57</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">-22.779</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="9">26.12 17.69 17.11 13.12 3.32 3.06 1.27 1.06 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">S S S S S S D:z2 D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">67 79 89 90 45 86 11 10 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.776</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="10">46.16 15.23 7.95 7.70 4.07 2.91 2.15 1.51 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S S D:yz 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">90 80 25 79 89 67 12 12 91 69</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">-22.772</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="9">63.51 6.69 6.16 3.47 3.14 2.22 2.04 1.27 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S D:x2-y2 S S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">32 86 45 33 3 31 29 3 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.768</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="9">41.82 18.69 11.04 4.51 3.11 2.29 2.15 1.77 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">79 67 56 89 80 7 99 90 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-22.766</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="7">41.76 32.41 5.48 2.06 1.84 1.53 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="7">1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="7">S S S D:x2-y2 S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 2.00 0.80 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">80 25 79 16 89 8 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.764</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="10">30.44 17.64 10.87 8.23 5.94 5.23 2.73 1.68 1.63 1.54</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">25 90 80 67 56 89 91 8 76 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.755</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="9">33.50 32.59 5.98 5.82 2.02 1.64 1.56 1.42 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S D:xy D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">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="9">45 86 77 23 26 2 19 85 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-22.753</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">60.00 8.57 4.45 3.63 3.23 2.09 1.81 1.49 1.36 1.28 1.16 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S D:xy S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">56 79 25 67 13 59 80 63 76 90 94 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O 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">-22.750</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="10">68.94 7.43 4.12 2.19 1.59 1.42 1.39 1.36 1.12 1.09</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 D:x2-y2 S S S S S P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -43.144 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">49 23 5 26 45 35 86 34 5 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.747</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="11">57.87 8.96 3.40 3.23 3.08 2.73 2.40 2.08 1.99 1.81 1.09</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 D:z2 S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">23 86 22 57 49 53 45 34 38 52 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.725</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="18">13.83 11.98 11.46 8.20 6.87 6.20 5.77 4.45 4.06 2.75 2.30 2.12 1.97 1.88 1.86 1.85 1.71 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">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">65 51 59 92 71 91 61 58 80 25 56 93 67 94 76 98 63 89</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">-22.718</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="16">16.40 12.59 12.29 8.54 6.62 5.11 4.64 4.51 3.50 3.39 2.82 2.64 1.86 1.16 1.15 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">28 57 77 86 46 26 36 96 23 42 44 85 45 43 52 30</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">-22.706</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="19">12.14 11.10 8.52 6.84 6.82 6.42 5.78 5.38 4.13 3.85 3.57 3.17 2.99 2.56 2.48 1.50 1.26 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">94 63 62 64 98 93 51 58 65 25 56 60 71 69 101 91 61 68 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.691</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="18">20.30 11.98 9.71 8.35 3.87 3.60 3.60 3.53 3.28 3.13 3.03 2.48 2.41 1.75 1.69 1.66 1.36 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">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">27 31 49 23 24 54 29 30 33 26 52 28 35 42 53 77 34 37</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">-22.644</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="27">8.50 7.92 7.78 5.79 5.64 4.98 4.79 4.59 4.45 3.96 3.58 3.54 2.91 2.15 2.00 1.86 1.72 1.67 1.67 1.63 1.62 1.58 1.58 1.57 1.52 1.52 1.51</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">60 101 69 99 68 98 27 62 93 94 63 31 72 64 58 35 52 29 40 51 34 54 33 53 38 30 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">-22.644</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="23">13.43 9.68 5.20 4.76 4.64 4.46 4.30 4.21 4.09 4.08 3.96 3.92 3.27 3.04 2.99 2.21 2.15 1.79 1.65 1.59 1.40 1.26 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S S S S S S S S S S S S S S S 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 -24.020 -24.020 -24.020 -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 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">27 31 35 52 34 53 38 29 54 33 30 24 60 101 69 99 68 98 62 93 94 63 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.628</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="20">13.93 11.64 9.28 8.11 7.38 6.92 5.00 4.93 4.62 3.36 2.93 2.61 2.14 1.98 1.89 1.79 1.38 1.18 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">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 77 37 85 42 29 54 96 33 40 28 24 38 34 30 44 53 35 97 31</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">-22.624</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="7">80.01 1.25 1.24 1.24 1.24 1.23 1.19</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">40 26 58 42 60 101 69</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">-22.607</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="16">19.48 15.01 9.96 9.16 5.22 4.88 4.61 4.49 4.22 3.80 2.78 2.48 1.69 1.52 1.52 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">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">51 58 91 61 40 84 60 101 70 69 99 68 72 94 63 98</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">-22.594</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="12">18.18 16.33 12.40 11.43 10.65 7.00 4.46 3.34 2.44 2.31 1.75 1.66</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">57 28 97 44 46 36 26 42 37 77 85 96</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">-22.575</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="10">23.14 19.10 13.56 11.96 7.54 6.88 2.41 2.10 1.24 -1.20</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 S S P:y</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 -24.020 -24.020 -0.773</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">65 71 59 92 76 83 58 51 91 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-14.948</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">12.14 10.29 8.67 7.65 7.23 6.38 4.14 4.13 4.12 4.06 3.35 2.63 1.58 1.45 1.32 1.29 1.26 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y S P:z S P:z S S S S P:y P:x P:y P:x S P:z P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               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 -14.028 -9.089 -9.089 3.429</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">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 2.00 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">75 82 107 78 107 73 73 82 78 75 73 78 50 41 106 47 78 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O P O P O O O O O O O O O P O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.935</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="18">10.81 9.85 8.81 8.68 7.25 6.09 4.16 4.16 4.15 4.07 4.01 2.61 1.88 1.79 1.56 1.25 1.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:x P:z S S P:z S S S S P:y P:x P:x P:x P:y S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -14.028 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089 -9.089 -9.089 -14.028 -9.089 3.429</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 2.00 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33 1.33 2.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">50 41 47 106 106 39 47 41 50 39 39 47 39 75 82 107 78 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O P P O O O O O O O O O O P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.030</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="8">42.81 17.98 11.93 6.19 5.31 2.74 2.52 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">P:y P:z S D:xz D:x2-y2 S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.493 -4.492 -4.492 -24.020 2.471 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.33 1.33 1.00 0.80 0.80 2.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">100 100 103 6 6 100 103 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O H W W O H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.024</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="9">52.22 11.69 8.89 5.35 3.35 2.65 2.46 1.21 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">P:x S D:xz P:z P:y S S P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-9.089 -6.493 -4.492 -9.089 -9.089 -24.020 2.471 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">1.33 1.00 0.80 1.33 1.33 2.00 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">74 102 17 74 74 74 102 73 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O H W O O O H O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.788</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">14.42 12.12 11.65 5.71 3.38 2.83 2.69 2.33 2.09 2.08 2.04 1.95 1.86 1.76 1.61 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:x P:x P:z P:z P:x P:z P:z P:y P:y P:z P:y P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-13.534 -9.089 -13.534 -13.534 -13.534 -5.485 -9.089 -9.089 -9.089 -13.534 -9.089 -9.089 2.224 -9.089 -9.089 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 1.33 2.00 2.00 2.00 1.00 1.33 1.33 1.33 2.00 1.33 1.33 0.00 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">108 75 109 108 109 107 39 73 39 108 78 82 107 73 41 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Cs O Cs Cs Cs P O O O Cs O O P O O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.723</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="11">26.63 15.66 6.70 6.43 5.94 5.00 3.61 2.44 1.52 1.24 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">P:x P:x P:y P:z P:z P:y P:z P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -9.089 -13.534 -13.534 -13.534 -9.089 -5.485 -9.089 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 1.33 1.33 2.00 2.00 2.00 1.33 1.00 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">108 109 50 47 109 108 108 47 106 39 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Cs Cs O O Cs Cs Cs O P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.714</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">176</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">14.57 8.34 6.78 6.68 5.81 4.12 3.62 3.36 2.62 2.41 2.14 2.07 2.06 1.94 1.75 1.34 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:z P:y P:x P:z P:y P:x P:x P:x P:z P:x P:y P:x P:z P:x P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -13.534 -13.534 -13.534 -9.089 -9.089 -5.485 -9.089 2.224 -13.534 -9.089 -9.089 -13.534 -9.089 -9.089 -13.534 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 2.00 2.00 2.00 1.33 1.33 1.00 1.33 0.00 2.00 1.33 1.33 2.00 1.33 1.33 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">75 109 108 108 78 50 107 41 107 108 47 39 109 73 82 109 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O Cs Cs Cs O O P O P Cs O O Cs O O Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.711</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="20">12.51 10.41 4.93 4.89 4.33 4.14 3.70 3.28 2.92 2.59 2.43 2.16 2.13 1.88 1.74 1.48 1.33 1.19 1.15 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 2 1 2 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:z P:z P:y P:y P:y P:y P:x P:z P:z P:y P:y P:z P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -13.534 -9.089 -9.089 -13.534 -13.534 -13.534 -9.089 -9.089 -9.089 -13.534 -5.485 -9.089 -9.089 -5.485 2.224 -9.089 2.224 -9.089 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 2.00 1.33 1.33 2.00 2.00 2.00 1.33 1.33 1.33 2.00 1.00 1.33 1.33 1.00 0.00 1.33 0.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">82 108 78 78 109 109 109 47 50 73 108 107 75 39 107 107 75 107 82 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O Cs O O Cs Cs Cs O O O Cs P O O P P O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.699</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="20">11.68 8.45 7.50 6.63 4.75 3.90 2.80 2.62 2.56 2.42 2.41 2.31 1.82 1.76 1.71 1.64 1.44 1.42 1.32 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:y P:z P:z P:z P:z P:y P:z P:z P:y P:y P:y P:x P:y P:y P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-13.534 -9.089 -9.089 -9.089 -9.089 -13.534 -9.089 -5.485 -13.534 -9.089 -5.485 -9.089 2.224 -9.089 2.224 -9.089 -9.089 -9.089 -9.089 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 1.33 1.33 1.33 1.33 2.00 1.33 1.00 2.00 1.33 1.00 1.33 0.00 1.33 0.00 1.33 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">108 82 50 39 78 108 47 106 109 73 107 41 106 82 107 75 78 50 50 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Cs O O O O Cs O P Cs O P O P O P O O O O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.696</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="17">25.80 5.61 4.71 4.58 3.58 3.58 3.48 3.01 2.69 2.46 2.24 2.14 1.68 1.67 1.27 1.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:y P:x P:z P:y P:z P:z P:x P:z P:z P:y P:z P:z P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-13.534 -9.089 -9.089 -9.089 -13.534 -9.089 -5.485 -9.089 -9.089 2.224 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 1.33 1.33 1.33 2.00 1.33 1.00 1.33 1.33 0.00 2.00 2.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">109 39 47 47 109 39 106 39 78 106 108 109 41 50 78 47 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Cs O O O Cs O P O O P Cs Cs O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.680</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="14">28.12 13.49 8.59 8.58 3.87 3.27 2.15 2.11 1.70 1.69 1.69 1.52 1.28 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:y P:z P:z P:y P:z P:x P:x P:x P:y P:y P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089 -9.089 -9.089 -13.534 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">108 109 108 109 39 75 39 109 50 39 50 82 47 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Cs Cs Cs Cs O O O Cs O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.650</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="5">40.72 36.46 7.04 6.05 3.84</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:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 109 109 108</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">-12.640</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="9">34.02 21.10 8.40 8.17 2.90 2.89 2.38 1.47 1.23</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:z P:x P:z P:y P:z P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089 -13.534 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 1.33 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">108 108 109 108 73 109 82 41 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">Cs Cs Cs Cs O Cs O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.635</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="11">38.51 15.35 9.67 9.50 2.00 1.59 1.56 1.24 1.21 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">P:y P:x P:z P:z P:y P:z P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">109 109 108 109 73 78 73 78 107 47 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Cs Cs Cs Cs O O O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.617</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">19.10 4.72 4.72 3.90 3.75 3.70 3.64 3.10 2.80 2.31 1.92 1.79 1.75 1.45 1.35 1.17 1.15 1.14 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:z P:z P:x P:x P:x P:y P:x P:z P:y P:x S P:x P:y P:y D:x2-y2 P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -5.485 -13.534 -13.534 -9.089 2.224 -13.534 -9.089 -9.089 -24.020 -9.089 -13.534 -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 1.00 2.00 2.00 1.33 0.00 2.00 1.33 1.33 2.00 1.33 2.00 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">41 73 47 106 109 108 50 106 109 73 50 41 39 108 47 2 82 78 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O P Cs Cs O P Cs O O O O Cs O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.605</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="16">28.57 13.95 6.19 3.05 2.79 2.55 2.52 2.08 1.91 1.89 1.35 1.31 1.13 1.13 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:z P:x P:y P:x P:y P:z P:x P:y P:z P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -9.089 -9.089 -13.534 -9.089 -9.089 -13.534 -9.089 -5.485 -9.089 -9.089 2.224 -9.089 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 1.33 1.33 1.33 2.00 1.33 1.33 2.00 1.33 1.00 1.33 1.33 0.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">109 108 73 41 73 108 78 82 109 82 107 50 73 107 47 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Cs Cs O O O Cs O O Cs O P O O P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.397</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="23">8.04 7.97 6.26 5.99 4.98 4.65 4.46 3.64 3.24 3.19 2.68 2.63 2.38 2.29 2.26 1.86 1.77 1.74 1.41 1.40 1.04 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:y P:x P:x P:z P:x P:y P:y D:x2-y2 P:y P:z D:x2-y2 D:xz D:x2-y2 D:yz D:z2 P:z D:xy P:z D:yz P:z D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">93 64 94 98 64 63 62 98 12 63 62 7 13 14 9 12 93 8 94 14 69 7 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O W O O W W W W W O W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.395</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="19">9.84 9.62 9.55 9.41 7.66 7.50 2.88 2.71 2.66 2.56 2.44 2.43 2.26 1.99 1.87 1.61 1.54 1.46 1.18</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:y P:z D:x2-y2 P:y P:z D:yz D:yz D:x2-y2 D:yz D:z2 D:xz D:yz D:z2 D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">35 53 34 52 38 38 4 27 27 4 18 22 1 5 21 21 21 1 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W O O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.357</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="22">10.73 9.50 7.49 6.87 6.33 5.59 3.92 3.39 2.77 2.56 2.37 1.80 1.71 1.61 1.57 1.37 1.36 1.24 1.14 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:z P:y P:y P:y P:z P:z D:x2-y2 D:z2 D:yz D:x2-y2 D:yz P:y D:yz P:z D:xz P:z D:yz P:x D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -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="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 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="22">69 101 99 68 72 60 72 60 11 16 7 15 10 64 12 101 16 68 15 94 12 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O W W W W W O 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">-12.325</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="20">9.09 6.28 5.74 5.16 4.68 4.56 3.68 3.20 2.93 2.89 2.39 2.32 2.30 1.53 1.48 1.40 1.29 1.25 1.15 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:y P:x P:y P:z P:x P:y P:y P:z P:z D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z D:xy 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 -9.089 -9.089 -9.089 -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="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 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="20">33 24 54 54 29 29 30 30 31 31 33 2 1 19 3 18 70 18 24 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O W W W W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.322</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="22">12.47 8.67 5.55 4.87 3.77 2.56 2.50 1.99 1.99 1.95 1.91 1.87 1.80 1.70 1.65 1.51 1.51 1.44 1.41 1.33 1.18 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 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x D:z2 P:y P:x P:x P:x D:x2-y2 P:z P:z D:x2-y2 D:xz P:z P:z P:x P:x P:y D:yz D:z2 D:z2 P:x D:yz</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 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 4.055 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 0.80 0.80 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 84 17 83 91 76 61 11 58 91 17 17 84 61 51 59 76 14 14 17 92 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W O O O O W O O W W O O O O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.293</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="22">8.37 5.89 5.66 5.27 5.01 3.84 3.31 3.00 2.55 2.50 2.23 1.95 1.72 1.72 1.60 1.52 1.44 1.41 1.36 1.13 1.08 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:y D:x2-y2 P:x D:xz D:xz P:x P:x D:z2 D:xy P:x P:y P:z D:yz P:z D:yz P:z D:x2-y2 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 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -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="22">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 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">37 44 97 85 85 6 26 6 2 77 57 6 6 28 96 26 2 44 19 36 4 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O W O W W O O W W 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">-12.207</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="23">9.88 7.48 5.89 5.10 4.43 4.14 3.10 2.83 2.74 2.60 2.57 2.41 2.14 2.13 1.97 1.64 1.43 1.34 1.29 1.26 1.21 1.10 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:x P:x P:z P:x P:y P:x D:x2-y2 P:y P:x P:z D:x2-y2 P:z D:yz P:z P:x P:z P:x P:z D:x2-y2 D:xz 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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">83 76 59 70 84 76 92 16 71 91 59 17 83 9 92 65 91 61 58 11 13 65 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W O O O W O W O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.187</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">193</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.71 9.18 5.97 4.78 4.02 3.07 3.03 2.91 2.60 2.23 2.11 1.93 1.72 1.67 1.67 1.57 1.54 1.52 1.32 1.32 1.23 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:x P:x P:x P:x P:y P:z P:x P:x D:xz P:z P:y D:x2-y2 D:xz P:z P:z P:z D:yz D:x2-y2 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 -9.089 -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="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 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="22">44 97 37 57 85 28 26 85 36 46 77 6 57 96 4 19 44 26 28 19 22 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O W O 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">-11.743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.34 10.88 5.72 5.70 5.02 3.98 3.66 3.41 3.05 2.93 2.93 2.66 2.33 2.28 2.20 1.95 1.85 1.52</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:z P:x P:y P:x D:z2 P:x D:xy D:yz D:x2-y2 D:x2-y2 P:y P:x P:y D:yz D:z2 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 -4.492 -9.089 -4.492 -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="18">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 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">35 52 53 33 34 24 1 54 18 18 18 1 54 30 30 1 5 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O W O W W W W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.706</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="24">11.39 7.55 7.14 4.89 4.45 4.33 4.06 2.89 2.75 2.50 2.42 2.25 2.14 2.14 1.38 1.38 1.35 1.34 1.25 1.12 1.10 1.07 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:y P:y P:z P:x P:x P:z P:y D:yz D:xz P:z D:yz D:x2-y2 D:xy P:y P:y D:x2-y2 P:x P:y P:y D:z2 P:z D:x2-y2 P:x 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 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -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="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 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="24">64 62 64 98 93 62 72 9 13 72 14 14 8 98 63 8 63 60 68 8 99 11 94 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W W O W W W O O W 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">-11.678</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="21">9.52 7.12 5.96 5.68 5.03 4.70 4.61 4.39 4.24 3.79 3.45 3.16 2.51 2.20 1.65 1.59 1.45 1.34 1.07 1.06 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:y P:x P:x P:z D:z2 D:x2-y2 P:y P:y D:x2-y2 P:x P:z D:yz D:xz D:xy P:y D:xy D:z2 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 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -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="21">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 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">93 69 101 98 94 99 12 7 98 68 12 63 93 7 13 7 63 8 7 101 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W W O O 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">-11.653</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">8.35 8.35 6.71 6.09 5.31 5.25 4.71 4.44 4.28 3.73 2.23 2.15 1.99 1.89 1.41 1.40 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">P:x P:z P:y P:x P:y P:z P:y P:y P:x P:x P:z D:x2-y2 D:yz P:z D:xz D:yz 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 -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="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 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">33 35 52 24 54 53 34 30 54 30 33 1 1 24 18 18 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O 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">-11.633</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">9.62 9.60 8.24 7.04 6.61 6.53 4.34 3.09 2.66 2.60 2.43 2.32 1.60 1.43 1.35 1.33 1.22 1.14 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:y P:z P:y P:z D:x2-y2 D:yz D:z2 D:xz P:y D:yz D:x2-y2 P:z P:x P:z P:z P:y D:z2</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 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">38 38 52 35 27 27 22 4 5 5 34 21 4 52 24 53 31 31 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W W W W O W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.617</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="21">12.56 7.94 7.40 4.80 4.51 4.31 3.53 3.22 2.92 2.85 2.60 2.59 2.15 2.04 1.68 1.54 1.53 1.46 1.26 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:y P:y P:z P:y P:z D:x2-y2 D:x2-y2 P:y P:y P:z D:z2 P:z P:x D:yz P:z D:yz D:xz D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -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="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">72 72 60 101 60 64 69 11 15 68 62 64 16 99 98 10 62 15 10 16 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W W 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">-11.591</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="15">11.29 8.27 7.04 6.40 5.29 4.52 3.78 3.35 3.05 2.68 2.20 1.97 1.96 1.82 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:y P:z P:x P:y P:x P:x P:y P:x D:yz P:y D:x2-y2 D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -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 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">69 101 99 93 68 94 98 98 63 7 63 12 12 93 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O 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">-11.555</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="19">9.07 6.97 5.59 4.72 4.48 4.03 3.66 2.67 2.50 2.49 2.43 2.42 1.79 1.62 1.56 1.40 1.35 1.28 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:z P:z P:z P:x P:x P:y D:xz P:x P:z P:y P:z P:y D:z2 D:xz D:z2 P:z D:z2 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">91 70 58 91 59 61 83 8 92 61 71 59 91 14 11 17 92 11 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O W O O O O O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.535</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="24">10.81 10.65 5.99 5.97 4.51 3.29 2.76 2.67 2.64 2.62 2.54 2.22 2.01 1.69 1.50 1.40 1.40 1.37 1.31 1.23 1.23 1.19 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:y P:z P:x D:z2 D:x2-y2 P:x D:xz P:y P:x D:yz D:yz P:x P:y P:y D:z2 P:z P:z D:x2-y2 P:z D:xz D:yz 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 -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 -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 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 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">31 31 29 29 24 20 3 33 2 54 30 3 20 54 30 38 3 38 33 19 30 20 19 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W O W O O W W O O O W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.517</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">203</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.81 6.15 5.97 5.59 4.81 3.58 3.41 3.16 2.88 2.42 2.27 2.23 2.06 1.81 1.51 1.39 1.26 1.24 1.23 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:x P:y P:x P:z P:z P:y P:x P:z D:x2-y2 P:z D:yz P:z P:y P:y D:xz P:y P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">59 59 92 83 91 70 92 71 61 91 16 58 9 83 91 84 13 59 61 69 65 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O W O W O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.511</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="25">8.08 8.05 4.37 3.77 3.35 3.10 2.86 2.85 2.72 2.20 2.17 2.07 1.99 1.90 1.76 1.65 1.63 1.60 1.60 1.58 1.36 1.25 1.24 1.15 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:x P:x P:z P:x P:y P:z P:x D:xz D:x2-y2 P:x P:y D:x2-y2 P:z P:z P:y P:z P:z D:xy D:xz D:x2-y2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -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="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">57 26 28 77 44 57 46 85 26 85 19 5 42 42 4 97 28 37 44 77 2 22 22 21 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W W O O W O O O O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.474</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">205</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.36 7.39 3.83 3.58 3.34 3.05 2.64 2.22 2.18 2.05 1.99 1.95 1.86 1.79 1.55 1.34 1.24 1.18 1.17 1.07 1.05 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:x P:x P:x P:x P:x P:z P:x P:y P:z P:x P:z P:z P:z P:x P:x D:x2-y2 D:x2-y2 P:z D:yz P:y D:x2-y2 D:xy D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">26 57 28 77 44 57 85 85 28 46 36 26 97 42 51 5 4 77 6 42 22 21 19 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O W W O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">206</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.65 4.77 4.65 4.31 3.74 3.51 3.33 3.27 3.18 3.06 2.52 2.44 2.26 2.14 1.96 1.88 1.70 1.61 1.47 1.35 1.15 1.15 1.13</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 D:xz P:x P:y D:xy P:y P:z P:z D:z2 D:x2-y2 D:x2-y2 D:z2 P:y P:x P:x P:y D:z2 P:x P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -6.681 -4.492 -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="23">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.00 0.80 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="23">51 58 84 65 105 61 65 105 71 51 70 105 105 15 17 83 76 26 76 15 92 84 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O Tc O O Tc O O O Tc Tc W 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">-11.435</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">207</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">16.23 7.58 6.26 5.04 4.99 4.34 3.35 2.75 2.36 2.23 2.17 1.94 1.93 1.73 1.68 1.39 1.33 1.26 1.25 1.20 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:z D:z2 P:y D:x2-y2 P:y P:x P:x P:z P:x P:x P:x D:x2-y2 P:y D:yz P:z D:x2-y2 D:xy D:xz D:z2 P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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="22">1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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="22">96 36 104 37 104 42 46 42 97 85 44 77 6 85 20 96 5 20 104 6 46 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O Tc O Tc O O O O O O O W 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">-11.379</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="22">15.52 8.16 5.76 5.52 5.30 4.20 2.39 2.14 2.13 2.05 1.97 1.96 1.92 1.73 1.65 1.64 1.56 1.37 -1.20 1.07 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:x P:z P:x S P:y D:xz P:z P:x D:xz P:y D:yz D:yz D:yz P:z P:y P:x S P:x D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 0.790 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.00 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.00 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">36 96 44 97 46 104 37 104 46 85 6 42 3 20 6 37 97 28 104 42 3 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O Tc O Tc O O W O W W W O O O Tc O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.349</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="25">7.02 6.08 5.73 5.67 5.50 4.58 3.41 2.93 2.77 2.75 2.29 2.23 2.03 1.67 1.60 1.51 1.47 1.46 1.43 1.38 1.35 1.20 1.15 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:x P:y P:x S D:x2-y2 P:y P:z P:x D:x2-y2 P:x P:z P:z P:z D:x2-y2 D:xz P:y D:yz D:xy D:z2 P:x P:z S</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 -5.054 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089 -6.681 -6.681 -4.492 -9.089 -9.089 0.790</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 2.00 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.00 1.33 1.00 1.00 0.80 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">65 76 71 51 65 84 105 10 83 58 92 17 61 83 51 70 15 105 76 105 105 15 73 82 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O Tc W O O O W O O O O W Tc O Tc Tc W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.253</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="39">3.85 3.71 3.54 3.02 2.96 2.87 2.75 2.45 2.44 2.36 2.31 2.23 2.17 2.16 2.16 2.11 2.04 2.04 1.93 1.81 1.74 1.71 1.64 1.61 1.51 1.47 1.36 1.35 1.33 1.31 1.29 1.20 1.19 1.14 1.11 1.07 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="39">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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:y D:yz P:y P:x P:x P:z D:xy D:z2 P:z P:x P:x P:z D:xz P:x P:z P:x D:xy D:yz D:xz P:y P:y D:z2 P:y P:z P:z P:y P:y P:y D:xy D:xz D:yz P:x P:z P:z P:z P:z D:xz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="39"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="39">1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 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="39">70 17 84 69 101 76 11 9 64 60 68 83 12 99 63 72 15 14 16 61 91 13 83 93 98 51 94 64 7 7 8 59 65 62 59 94 10 71 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="39">O W O O O O W W O O O O W O O O W W W O O W O O O O O O W W 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">-11.228</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="37">4.51 4.18 3.74 3.51 3.23 2.95 2.55 2.52 2.48 2.45 2.43 2.43 2.39 2.37 2.32 2.32 1.88 1.73 1.61 1.60 1.59 1.49 1.46 1.38 1.37 1.34 1.33 1.27 1.25 1.21 1.21 1.17 1.12 1.12 1.08 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:y P:z P:x D:xy P:y P:x D:yz P:z P:x P:x P:z D:xy P:x P:y P:y P:z D:xz D:xy D:xz D:z2 P:z P:z P:z P:z P:x P:z P:y P:z P:x P:y P:y P:y D:xy D:x2-y2 P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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 -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</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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">44 85 38 4 97 34 6 77 52 35 37 6 53 57 28 26 21 22 1 2 54 30 33 29 37 42 24 24 27 36 33 46 18 21 54 30 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O W O O W O O O O W O O O O W W W W O O O O O O O O O O O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.044</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="21">8.14 5.32 3.82 3.68 2.88 2.79 2.74 1.96 1.83 1.72 1.69 1.42 1.36 1.33 1.28 1.13 1.09 1.05 1.04 1.04 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:z P:x P:x P:z P:z P:z P:z D:x2-y2 D:xz P:y P:x P:x P:z D:yz P:y P:x D:xy P:z D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 1.00 1.33 1.33 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">75 40 39 78 82 73 40 104 105 75 47 50 50 105 39 62 105 68 15 41 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O Tc Tc O O O O Tc O O Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.023</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="16">6.48 3.51 2.42 2.36 2.36 2.31 2.25 2.23 2.03 1.60 1.51 1.38 1.14 1.10 1.03 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:y P:y P:y P:z P:y P:y P:z P:y P:x P:z P:y D:xy P:x P:y 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 -4.492 -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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">78 75 73 39 39 47 50 82 78 41 41 14 64 69 52 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">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">-11.019</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="17">5.82 3.86 3.83 2.85 2.49 2.22 1.76 1.63 1.59 1.52 1.39 1.36 1.36 1.28 1.25 1.24 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:x P:y P:x P:z P:z P:x P:y P:z P:z P:x D:xy P:x D:xz P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">82 78 78 64 82 39 39 47 41 50 98 14 93 9 50 92 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.012</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="19">5.75 3.92 3.16 2.65 2.29 2.15 1.92 1.66 1.62 1.52 1.42 1.41 1.24 1.18 1.14 1.07 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:z P:y P:x P:z P:z P:y P:z D:yz D:x2-y2 P:z P:y P:z P:y P:y P:y D:z2 P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">75 82 73 82 73 75 82 101 7 8 78 78 93 98 41 39 11 98 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.998</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="24">10.54 6.63 3.66 2.89 2.87 2.14 1.89 1.80 1.78 1.65 1.63 1.62 1.60 1.58 1.50 1.47 1.44 1.40 1.40 1.36 1.31 1.23 1.15 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:y P:z P:x P:x P:y P:y P:x D:xz P:y D:x2-y2 P:z P:z D:yz D:z2 D:xy P:x P:y P:x P:z P:x P:z P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 10.371 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">47 50 50 31 50 77 47 20 35 3 52 38 106 4 21 54 38 28 47 33 28 41 39 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W O W O O P W W O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.930</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="16">4.65 3.65 2.88 2.68 2.38 2.09 1.82 1.53 1.41 1.37 1.31 1.27 1.12 1.11 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:x P:y P:z P:z P:y P:y P:z P:y P:z P:z P:z P:x D:xz P:z 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 -4.492 -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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">47 50 39 41 39 41 73 47 24 30 50 82 78 1 34 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">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">-10.920</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="14">8.45 3.38 2.92 2.92 2.85 2.44 1.79 1.62 1.48 1.47 1.38 1.24 1.23 1.16</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:z P:y P:x P:z P:x P:y P:x P:x P:x P:x P:x D:xy P:z</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 -4.492 -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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">39 75 75 82 50 47 47 41 50 36 78 96 5 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.902</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="20">3.81 3.52 3.15 3.12 2.92 2.60 1.77 1.69 1.63 1.61 1.49 1.39 1.38 1.36 1.22 1.11 1.06 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:x P:x P:z P:y P:z P:z P:y P:x P:x P:x P:y D:z2 P:z D:xy P:z P:z 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">73 75 82 78 82 75 78 73 39 47 59 50 93 7 39 12 98 101 68 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O 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">-10.850</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="27">10.47 3.00 2.64 2.58 2.24 2.15 2.04 2.00 1.92 1.85 1.73 1.65 1.62 1.50 1.46 1.46 1.33 1.32 1.18 1.16 1.16 1.14 1.13 1.10 1.10 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:x P:y P:z P:x P:y P:y P:x P:x D:xy P:z D:xz P:x P:y P:x P:y P:z P:z P:x P:y P:y P:x P:z D:yz D:xy 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 -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 -6.681 -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 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">73 78 84 51 83 75 63 78 16 82 11 91 76 75 65 78 74 65 59 69 70 91 105 12 89 70 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O W O W O O O O O O O O O O O Tc W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.845</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="25">5.71 5.46 3.50 3.09 2.98 2.70 2.41 2.32 1.98 1.93 1.84 1.80 1.78 1.75 1.61 1.60 1.55 1.52 1.43 1.42 1.29 1.19 1.09 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:z P:x P:y P:z P:y 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 D:xy P:y P:y 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 -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 -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 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">41 41 50 96 36 26 39 39 85 53 97 34 2 44 57 39 37 29 54 47 19 37 27 19 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O W O O O O O O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.754</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="29">6.38 5.16 4.65 4.63 3.56 3.13 2.95 2.68 2.43 2.33 2.21 2.03 2.00 1.87 1.76 1.68 1.47 1.46 1.45 1.43 1.35 1.31 1.31 1.30 1.16 1.08 1.05 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z D:yz P:z P:y P:y D:z2 P:y D:z2 P:z P:z P:z D:yz D:yz D:z2 P:z P:z P:x P:x P:z D:xy P:y D:x2-y2 P:x D:xy P:z D:yz D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -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 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 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 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">70 83 17 64 91 58 13 64 9 59 62 71 11 14 14 98 60 93 62 101 13 69 8 98 16 93 8 9 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O W O O O W O W O O O W W W O O O O O 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">-10.708</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="22">5.57 4.97 4.91 4.81 3.04 3.00 2.95 2.79 2.44 2.27 2.21 2.13 1.99 1.91 1.82 1.68 1.55 1.49 1.42 1.34 1.24 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:z P:x D:xz P:x P:x P:z P:y P:z P:z D:xy P:y P:y D:xz D:xy D:xz P:x P:z D:xy P:x P:x D:z2</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 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">69 93 101 12 99 68 63 98 59 98 7 91 94 16 11 7 70 76 17 83 59 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O O O O W O O W W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.699</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="31">7.50 4.15 3.17 2.91 2.78 2.58 2.27 2.23 2.19 2.17 1.98 1.94 1.76 1.67 1.66 1.64 1.59 1.49 1.42 1.39 1.38 1.36 1.34 1.33 1.27 1.26 1.15 1.09 1.08 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x D:xz P:z P:x P:z D:z2 P:z P:z P:x P:z D:xz P:x P:z D:xz P:x P:y P:x P:y P:z D:x2-y2 P:y D:xy P:y P:z P:x P:y P:x D:z2 D:xz P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">35 1 54 97 26 6 30 33 52 85 5 33 44 21 34 52 26 53 24 2 57 18 33 42 53 30 37 2 18 77 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W O O O W O O O O W O O W O O O O O W O W O O O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.692</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="30">5.58 5.55 5.09 4.71 4.42 4.15 3.10 3.00 2.58 2.38 2.05 2.02 1.97 1.96 1.91 1.88 1.81 1.81 1.59 1.49 1.48 1.38 1.31 1.23 1.21 1.16 1.13 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">P:x P:x D:xy P:y P:y P:y P:x D:xy P:x D:xy P:y P:z D:x2-y2 D:x2-y2 P:y D:xz P:z P:x P:z P:x D:xz P:x D:x2-y2 P:z P:x D:xy 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 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">38 52 22 44 57 46 27 6 85 4 85 42 21 18 54 5 85 29 44 54 4 37 19 26 35 19 24 35 33 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O W O O O O W O W O O W W O W O O O 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">-10.680</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="27">7.62 4.23 4.20 3.98 2.93 2.87 2.71 2.37 2.29 2.10 2.05 1.89 1.88 1.87 1.82 1.39 1.33 1.32 1.31 1.30 1.27 1.26 1.25 1.11 1.11 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 D:xy P:y P:y P:z P:x P:z D:xz D:yz D:xy P:x D:yz P:x P:y P:x P:x D:x2-y2 D:xz P:y P:z P:x D:xy D:xy D:z2 D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -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="27">1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.00 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">72 15 51 84 76 60 65 10 17 11 65 105 64 61 68 62 105 16 93 92 99 14 12 16 10 83 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O W O O O O O W W W O Tc O O O O Tc W O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.636</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="33">5.42 5.39 3.30 3.01 2.63 2.43 2.30 2.08 1.94 1.90 1.69 1.66 1.66 1.62 1.55 1.54 1.52 1.52 1.50 1.50 1.43 1.43 1.41 1.36 1.35 1.26 1.24 1.21 1.14 1.12 1.06 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:z D:z2 P:z P:y P:z D:z2 P:y D:z2 D:yz P:z P:z P:x D:yz P:y D:xy P:z P:y P:z D:z2 D:z2 D:z2 P:z P:z P:z P:y P:y P:z P:y D:xy D:yz P:y P:y</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 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -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="33">1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.00 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 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="33">36 96 3 31 97 37 20 31 2 104 34 38 29 6 35 19 52 54 33 21 4 1 30 29 77 24 28 26 43 20 22 57 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O O O W O W Tc O O O W O W O O O W W W O O O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.514</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="9">1.99 1.85 1.46 1.44 1.30 1.24 1.22 1.08 1.04</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">D:yz P:y P:z D:x2-y2 P:x D:xz D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-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="9">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="9">16 69 101 13 64 14 11 9 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-10.494</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="12">1.43 1.37 1.33 1.22 1.15 1.14 1.13 1.12 1.12 1.07 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">D:yz P:y D:yz D:z2 P:x P:x P:y P:z P:z P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">16 69 5 19 100 54 33 101 86 38 20 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">W O W W O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.382</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="8">11.79 5.80 2.21 1.72 1.31 1.15 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">P:x P:z D:x2-y2 P:y D:xz P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">40 40 104 40 105 63 73 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O Tc O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.298</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="31">5.81 2.80 2.61 2.40 2.24 2.23 2.23 2.16 2.14 2.11 1.94 1.92 1.83 1.82 1.79 1.61 1.60 1.58 1.52 1.48 1.44 1.43 1.33 1.33 1.31 1.28 1.28 1.24 1.21 1.19 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x D:z2 P:z D:xy P:y P:y D:xy P:y D:x2-y2 P:x D:yz P:z D:z2 D:xz P:z P:y P:x P:y P:y D:xy D:yz P:z D:xy P:y P:y P:z D:z2 P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -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 -4.492 -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="31">1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">64 10 72 17 99 88 14 72 9 83 11 67 7 14 68 58 95 94 84 7 15 101 9 89 66 60 15 71 95 63 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W O W O O W O W O W O W W O O O O O W 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">-10.276</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="33">3.22 3.22 2.96 2.93 2.88 2.77 2.61 2.44 2.29 1.89 1.85 1.77 1.73 1.69 1.58 1.47 1.37 1.33 1.32 1.28 1.26 1.24 1.20 1.18 1.15 1.15 1.14 1.10 1.09 1.07 1.04 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:y D:z2 P:z D:z2 P:z P:y D:xy P:z P:x D:xy P:y P:x D:xy P:y P:x D:xz P:z P:x P:z D:yz P:z D:x2-y2 P:x D:yz 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="33"
                               units="nonsi:electronvolt">-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 -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 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">31 43 4 81 21 38 38 1 34 30 3 46 48 6 44 29 20 85 37 42 6 24 2 87 4 32 97 54 27 33 55 34 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O W O O W O O W O O W O O W O O O W O W O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.269</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="22">4.60 4.60 2.63 1.75 1.73 1.64 1.59 1.54 1.52 1.39 1.38 1.38 1.33 1.28 1.25 1.23 1.20 1.20 1.18 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z D:xy P:x P:y P:x D:z2 P:y P:y D:xz D:xy P:z P:z P:z P:z P:x P:x P:x P:y P:x P:x D:xz</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 -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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 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 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">74 84 17 70 76 74 17 59 94 11 7 80 82 58 63 100 89 99 69 37 62 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W O O O W O O W 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">-10.259</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="25">6.18 5.31 2.94 2.89 2.43 1.88 1.85 1.85 1.77 1.65 1.57 1.53 1.52 1.44 1.37 1.35 1.26 1.25 1.22 1.15 1.06 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">P:z P:y P:z P:x P:y P:y D:xz P:x D:x2-y2 D:yz D:x2-y2 P:y D:xy P:z D:z2 D:z2 P:z P:x D:xy D:xy D:xz P:y P:z 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 -4.492 -9.089 -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 -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 0.80 1.33 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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">24 30 29 34 29 28 18 53 1 18 2 77 1 28 20 19 77 87 4 3 20 35 47 54 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W O W W W O W O W W O O W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.247</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">2.28 2.09 1.89 1.83 1.64 1.61 1.60 1.48 1.38 1.35 1.34 1.33 1.24 1.17 1.09 1.09 1.06 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z D:xy P:y P:x P:z P:y P:z P:x D:xy P:z P:y P:z D:xz D:xy P:y P:y P:y P:x D:yz</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 -9.089 -4.492 -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="19">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">63 6 76 37 100 74 34 42 17 48 62 76 12 16 61 37 85 100 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O W O O O O O O W 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">-10.242</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="20">3.47 2.94 2.44 1.71 1.58 1.51 1.51 1.41 1.35 1.27 1.21 1.14 1.14 1.13 1.10 1.07 1.06 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:x P:y D:z2 D:z2 D:yz P:z D:z2 P:y D:xz P:x P:x D:xz P:y D:x2-y2 D:xz P:y P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -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 0.80 1.33 0.80 1.33 0.80 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="20">97 53 6 18 21 95 8 92 9 46 79 7 63 20 19 29 68 94 100 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O W W W O W O W 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">-10.228</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="20">2.55 1.94 1.91 1.61 1.55 1.53 1.52 1.51 1.50 1.40 1.36 1.34 1.30 1.25 1.21 1.17 1.12 1.07 1.06 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 D:xy D:xz D:x2-y2 P:z D:xy P:y P:x P:y P:x P:y P:x P:y D:xz D:z2 P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-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 -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 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">61 14 15 13 94 12 62 90 93 88 66 99 47 14 6 46 80 30 59 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O W W W O W O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.222</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="13">3.05 1.98 1.58 1.40 1.39 1.38 1.36 1.29 1.18 1.17 1.16 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:x P:x P:y P:z P:z D:z2 D:z2 D:xz P:y P:x D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">100 97 24 35 62 74 8 6 3 53 27 5 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O W W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.205</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="18">3.32 2.14 1.71 1.51 1.43 1.40 1.38 1.34 1.31 1.30 1.30 1.28 1.26 1.26 1.20 1.13 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">D:xy P:x P:y D:z2 P:z P:x D:xz D:yz P:z P:z P:z P:z P:x D:xy P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">5 49 42 12 75 62 15 13 68 56 61 90 71 104 60 30 23 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W O O W O O W W 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">-10.201</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="21">3.34 2.70 2.04 1.74 1.72 1.71 1.65 1.49 1.47 1.44 1.43 1.24 1.24 1.19 1.17 1.16 1.15 1.14 1.10 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y D:xy P:x P:x P:y P:z D:xz P:y P:y P:x D:xy P:y P:x D:xz P:x P:y D:z2 P:y P:y D:z2 P:x</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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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="21">1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.00 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">92 10 67 46 79 46 22 76 27 58 14 25 62 9 23 75 105 99 95 7 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O W O O O O W O O O W O O 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">-10.173</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="15">2.33 2.25 1.78 1.77 1.76 1.37 1.30 1.29 1.27 1.21 1.21 1.16 1.07 1.07 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">P:y P:x P:x P:x P:x D:xy D:x2-y2 D:xz D:z2 P:y P:y D:xz P:z 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 -4.492 -4.492 -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="15">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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">75 58 71 56 25 5 13 22 8 68 60 8 75 82 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O W W 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">-10.138</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="17">3.26 3.03 2.16 2.10 2.03 2.03 1.58 1.45 1.45 1.33 1.25 1.25 1.24 1.23 1.16 1.15 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x D:xz P:z D:z2 P:x P:y P:z P:z P:z P:x D:xz D:xy P:x P:y P:y D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-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 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">43 4 44 6 28 77 26 28 100 81 3 4 77 39 28 21 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O W O W O O O O O 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">-10.116</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="21">2.87 2.81 2.52 2.07 1.58 1.56 1.52 1.46 1.44 1.35 1.27 1.24 1.18 1.13 1.10 1.06 1.05 1.05 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x D:xy D:xz P:z P:y P:x D:xy P:y P:x P:z P:y D:xz D:xy P:y P:x P:x P:x P:y P:y P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -4.492 -4.492 -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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 0.80 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">83 17 14 61 74 91 12 76 63 66 95 15 9 73 92 90 58 61 98 62 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O W W O O O W O O O O W W O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.111</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="27">4.28 3.70 3.50 2.85 2.84 2.69 2.65 2.59 2.28 2.22 2.15 2.15 2.07 1.85 1.78 1.70 1.63 1.62 1.59 1.56 1.53 1.45 1.24 1.22 1.19 1.15 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:x P:y P:z P:y P:y P:x P:y D:yz P:x P:z P:z P:y P:y P:x P:x P:z P:x P:z P:x D:xy D:z2 P:y P:x D:x2-y2 D:xz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">24 54 96 85 31 100 36 6 30 31 33 37 30 81 53 37 33 44 41 21 3 97 52 6 4 3 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O W O O O O O O O O O O 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">-10.081</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="29">3.79 3.68 3.55 3.04 2.86 2.41 2.40 2.23 2.16 2.02 1.96 1.87 1.60 1.59 1.58 1.44 1.37 1.32 1.29 1.25 1.24 1.22 1.14 1.09 1.06 1.05 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">D:yz D:yz P:y P:y P:z P:x P:z P:y P:z P:z P:x D:yz P:y P:x P:z P:y D:yz P:y P:y D:z2 D:x2-y2 P:z D:yz D:xy P:x P:z P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">16 11 60 89 80 72 72 25 60 67 62 15 69 70 56 88 13 65 62 10 10 73 10 8 60 64 72 8 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W O O O O O O O O O W O O O O W O O 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">-10.073</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="11">1.67 1.60 1.59 1.53 1.24 1.21 1.15 1.13 1.08 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:x2-y2 P:z D:yz D:yz P:x P:z P:y P:x P:z D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-4.492 -9.089 -6.681 -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="11">0.80 1.33 1.00 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="11">13 71 105 5 69 94 58 40 49 22 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">W O Tc W O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.046</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="20">2.82 2.47 2.30 2.22 2.11 1.99 1.95 1.86 1.81 1.67 1.62 1.60 1.56 1.42 1.39 1.34 1.26 1.16 1.13 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">D:yz D:yz P:y P:x P:y P:z P:y P:y P:z D:yz P:y P:z P:y D:xy P:z D:yz P:x D:xy P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-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 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.80 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">5 22 86 29 27 49 23 29 45 19 35 52 33 2 27 2 27 14 54 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W O O O O O O O W 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">-10.016</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="24">3.91 3.24 2.55 2.29 2.15 2.11 1.96 1.84 1.52 1.47 1.41 1.33 1.29 1.21 1.18 1.15 1.13 1.11 1.09 1.07 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:z D:xy D:z2 P:y P:z P:x D:xz D:z2 P:z P:x P:y P:y D:xy P:x P:z P:z 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 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -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="24">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 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">84 51 91 76 25 16 8 91 59 61 11 105 79 58 56 58 13 80 36 97 90 92 89 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W O O O W Tc 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">-10.010</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="23">2.49 2.19 2.19 1.98 1.88 1.75 1.74 1.68 1.55 1.41 1.36 1.34 1.27 1.22 1.22 1.17 1.12 1.12 1.09 1.07 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 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 D:xy D:xy P:x D:x2-y2 P:x P:y P:y P:y P:z P:x P:y P:y P:x P:y P:x P:y P:z P:z D:x2-y2 P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">31 26 5 3 49 2 42 32 30 45 99 29 48 96 77 29 55 68 94 24 105 39 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W W O W O O O O O O O O O O O O O O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.996</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="21">3.86 2.51 2.35 2.15 2.08 2.03 1.60 1.54 1.44 1.43 1.34 1.34 1.30 1.27 1.23 1.20 1.20 1.15 1.15 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:y P:x D:z2 P:z D:yz P:x P:y P:z D:z2 P:x P:x P:z D:xy P:z P:y P:x P:y D:yz D:xy</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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">57 97 26 23 19 36 2 46 96 86 22 76 28 87 5 45 48 42 37 18 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O W O W O O O W 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">-9.969</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="20">7.06 4.22 2.45 2.16 1.82 1.77 1.67 1.59 1.49 1.40 1.35 1.34 1.24 1.21 1.20 1.13 1.13 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:x P:z P:x P:y D:xy P:x D:yz P:x P:y P:z D:xz P:y P:z D:xz P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 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">40 40 100 74 55 27 5 62 13 49 96 51 14 42 37 15 56 94 84 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O W 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">-9.949</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="23">1.99 1.89 1.86 1.86 1.76 1.61 1.60 1.58 1.55 1.45 1.44 1.24 1.19 1.18 1.14 1.14 1.13 1.13 1.10 1.07 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:z P:y P:y P:y D:x2-y2 P:z P:x D:xy P:x D:z2 P:x D:xy P:x P:x P:x D:xz P:z P:x D:x2-y2 D:xy 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 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">46 29 24 68 30 24 105 99 87 5 55 8 23 10 94 67 36 22 54 49 18 3 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O Tc O O W O W O W O O O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.936</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="20">4.49 2.28 2.14 1.82 1.81 1.74 1.60 1.58 1.58 1.53 1.33 1.29 1.22 1.22 1.12 1.11 1.09 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x D:xz P:x P:z P:x P:x P:x P:z P:x P:y P:z D:xy P:y P:z P:y P:x P:x P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">40 3 32 27 24 48 63 30 30 38 86 1 68 32 29 96 36 53 19 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O W O O O O O O O O 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">-9.901</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">254</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.98 2.89 2.67 2.28 1.89 1.54 1.49 1.48 1.45 1.43 1.35 1.26 1.23 1.23 1.23 1.21 1.20 1.13 1.07 1.05 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:x P:z D:z2 P:x P:y P:x P:z P:x P:y D:x2-y2 P:y D:z2 D:xz P:z P:x D:x2-y2 P:y P:z P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -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="23">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 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="23">63 62 61 62 7 92 64 30 58 76 24 12 71 105 15 67 94 10 83 70 59 91 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O O O O O O W O Tc 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">-9.877</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">255</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.62 3.99 3.78 3.65 3.01 2.53 2.51 2.04 1.94 1.75 1.70 1.48 1.47 1.47 1.39 1.27 1.26 1.25 1.24 1.22 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:x P:y P:z P:x P:z P:y P:x P:y P:z P:x D:z2 P:x P:y P:x P:z D:x2-y2 P:y P:x D:z2 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 -9.089 -4.492 -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="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 0.80 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="22">53 37 100 34 97 96 35 52 33 68 36 29 5 24 96 27 42 22 30 46 2 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O W 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">-9.861</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="22">3.78 3.36 2.72 2.51 2.43 2.12 1.84 1.72 1.56 1.38 1.32 1.29 1.28 1.22 1.18 1.15 1.13 1.12 1.06 1.03 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:x P:y P:y P:z P:z P:x P:z P:y P:z P:z P:x P:y P:x P:z D:yz P:z P:x D:xz D:xy P:z P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.00 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">61 60 72 60 68 92 61 99 58 72 79 68 91 91 12 70 90 105 15 59 99 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O W O O Tc W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">257</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">1.77 1.65 1.64 1.53 1.50 1.49 1.47 1.31 1.30 1.23 1.21 1.19 1.19 1.18 1.18 1.17 1.16 1.13 1.10 1.07 1.06 1.05 1.04 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:z D:xy P:x P:x P:z D:xz P:z P:y P:z D:yz P:y P:y P:y P:y P:y P:x P:z P:z P:x P:z P:y P:y P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="25">1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">77 20 32 54 31 3 68 31 27 5 27 99 42 60 28 96 81 35 55 60 81 35 33 26 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O W O O O W O O O W 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">-9.820</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="25">4.01 3.85 3.64 2.99 2.93 2.59 2.54 2.39 2.37 2.25 1.82 1.76 1.66 1.64 1.55 1.51 1.46 1.46 1.35 1.29 1.24 1.17 1.10 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:x P:z P:x P:y P:x P:x P:x P:x P:z P:y D:xz P:x P:x P:z D:z2 D:xy D:x2-y2 P:x P:x P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">76 74 60 92 99 71 68 76 84 58 62 69 65 16 99 72 59 10 11 105 65 59 84 101 14</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 W W Tc O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.759</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">259</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">3.20 2.32 2.14 2.12 1.92 1.89 1.74 1.58 1.40 1.22 1.16 1.11 1.10 1.09 1.04 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:z P:y P:y P:z P:z P:z P:y P:x P:x P:z P:y P:y P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">73 68 60 80 58 73 70 99 42 61 81 72 41 91 41 89 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.743</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="20">4.54 3.34 3.21 3.14 3.00 2.81 2.51 2.40 2.36 2.29 1.89 1.60 1.50 1.45 1.42 1.32 1.30 1.24 1.17 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:x P:y P:z P:x P:y P:x P:z P:y P:y P:x P:y P:z P:y P:y P:x P:z D:yz 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 -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 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="20">53 35 26 52 97 100 34 77 74 37 43 46 49 41 81 96 32 34 4 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.734</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">261</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.76 5.74 3.45 3.35 3.30 3.07 2.90 2.85 2.71 2.46 2.26 2.26 1.46 1.44 1.44 1.32 1.27 1.21 1.15 1.14 1.13 1.07 1.06 1.05 1.04 1.04 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z P:x P:z P:y P:x P:y P:y P:z P:x P:z P:z P:x P:x P:z P:x P:y P:y D:z2 P:x D:x2-y2 P:y D:xz P:z D:z2 D:xz P:x 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 -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="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">27 27 50 38 34 55 38 35 52 32 53 87 49 30 43 47 52 48 1 33 21 42 5 29 18 4 34 43 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O W O W O W O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.725</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="23">4.52 3.25 3.19 2.88 2.63 2.48 2.42 2.30 2.25 2.15 2.14 1.81 1.81 1.76 1.58 1.51 1.46 1.40 1.32 1.29 1.26 1.13 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:x P:y P:z P:z P:x P:z P:y P:z 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: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">62 62 98 64 82 88 95 67 78 64 69 66 93 90 63 79 25 67 83 99 94 99 63</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">-9.723</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="14">3.84 3.08 3.03 2.83 2.12 2.06 1.93 1.78 1.76 1.47 1.09 1.07 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:y P:z P:y P:x P:y P:y P:z P:x P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">58 71 70 42 100 85 34 46 85 83 44 101 61 56</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">-9.713</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">7.59 7.46 3.00 2.95 2.80 2.45 2.21 2.01 1.73 1.68 1.67 1.61 1.59 1.54 1.53 1.33 1.16 1.11 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:x P:y P:x P:z P:z P:z P:y P:z P:z P:y P:x P:x P:x P:z P:y D:z2 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 -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 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">94 74 93 98 84 70 88 91 62 58 75 63 78 51 63 93 37 9 94 76</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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.682</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">265</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">2.67 2.14 2.13 2.09 1.86 1.78 1.68 1.65 1.59 1.58 1.52 1.52 1.40 1.28 1.24 1.24 1.16 1.13 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:z P:y P:y P:x P:x P:z P:y P:x P:z P:x D:z2 P:x P:z P:y 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">45 42 91 43 71 41 28 61 58 43 36 46 44 4 46 83 32 63 44 25 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.672</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="26">2.94 2.81 2.54 2.37 2.26 2.13 2.03 2.01 1.68 1.68 1.55 1.52 1.50 1.33 1.29 1.17 1.10 1.07 1.07 1.06 1.06 1.05 1.04 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:x P:z P:x P:y P:z P:y P:x P:y P:y P:z P:z P:x P:y P:y D:yz P:x P:x P:z P:x P:y P:y D:xz 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 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="26">66 92 56 95 92 82 71 59 67 94 69 89 60 41 59 90 59 11 61 77 101 93 66 62 14 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O W O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.660</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">2.93 2.23 2.12 2.11 1.89 1.71 1.67 1.66 1.59 1.57 1.57 1.39 1.39 1.29 1.24 1.13 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:x P:z P:z P:x P:x P:x P:z P:y P:x P:y P:x P:y P:x P:y P:x P:y 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">53 44 97 42 63 95 100 89 34 67 101 81 46 85 68 73 24 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.653</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="16">3.89 3.23 2.74 2.33 1.99 1.67 1.57 1.40 1.28 1.15 1.14 1.13 1.12 1.09 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:y P:z P:y P:x P:x P:x P:z P:x P:z D:xz P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="16">66 80 79 90 95 46 44 89 96 101 14 74 81 82 80 73</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">-9.637</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="24">4.39 3.02 2.47 2.12 1.79 1.77 1.70 1.66 1.53 1.53 1.49 1.41 1.39 1.37 1.18 1.18 1.16 1.15 1.15 1.14 1.14 1.11 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:x P:z P:z P:z P:z P:x P:y P:x P:y P:z P:y P:y P:z P:x P:x P:y P:x P:x D:yz P:x P:z P:x 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">63 99 70 74 69 94 74 93 68 83 63 94 58 76 67 101 51 98 17 73 53 88 98 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.629</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="27">6.69 4.90 3.94 3.12 2.57 2.49 2.47 2.41 2.33 2.18 2.09 2.02 1.88 1.86 1.81 1.47 1.40 1.36 1.33 1.31 1.24 1.18 1.13 1.11 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:x P:y P:z P:z P:z P:z P:z P:x P:x P:x P:y P:z P:y P:z P:z P:x D:yz P:z P:y P:z P:y P:x P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">57 26 28 81 37 97 23 28 45 77 77 54 43 96 50 52 36 44 87 2 46 47 81 45 30 28 21</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 O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.614</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="14">7.55 4.49 3.12 2.58 2.20 1.87 1.79 1.58 1.55 1.43 1.34 1.30 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:x P:z P:y P:x P:y P:x P:z P:x P:z P:y P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">100 74 83 42 71 76 53 89 100 75 100 96 46 26</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">-9.592</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="16">3.23 2.43 2.33 2.29 2.26 1.94 1.82 1.59 1.53 1.50 1.44 1.39 1.20 1.20 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:z P:x P:y P:y P:x P:x P:x P:x P:y P:z P:z P:x P:x D:x2-y2 D:yz 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 -9.089 -4.492 -6.681 -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 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">74 100 83 56 23 76 40 85 51 65 100 71 39 13 105 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O W Tc O</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">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.81 3.57 3.30 3.10 2.52 2.48 2.43 2.17 1.98 1.93 1.91 1.81 1.76 1.76 1.72 1.53 1.49 1.45 1.39 1.34 1.32 1.32 1.23 1.11 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:x P:x P:x P:y P:y P:x P:z P:y P:y P:x P:y P:y P:x P:z D:xy P:z P:z P:x P:z P:y P:z D:z2 P:z P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 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="27">100 44 46 36 49 85 37 42 45 23 39 34 49 97 5 87 46 55 36 37 39 6 27 38 100 34 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O W O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.548</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="25">5.89 4.52 3.29 3.06 2.90 2.21 2.21 2.17 2.13 1.88 1.80 1.73 1.72 1.69 1.68 1.66 1.48 1.47 1.27 1.21 1.18 1.12 1.06 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:z P:y P:y P:x P:z P:x P:y P:z P:y P:y P:y P:y P:z P:z P:y P:y D:yz P:x P:z D:z2 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089</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 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">68 99 101 69 56 74 94 89 84 75 88 64 78 90 63 70 65 51 88 17 93 94 11 14 76</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 W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.521</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="30">3.62 3.61 2.74 2.73 2.71 2.68 2.39 2.32 2.30 2.26 2.17 2.16 2.16 1.85 1.78 1.76 1.64 1.40 1.34 1.33 1.33 1.28 1.28 1.26 1.18 1.11 1.10 1.08 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:z D:yz P:z P:y P:y P:x P:y P:y P:y P:z D:yz P:z P:y P:x D:xz P:x P:z P:x D:xy P:x D:xy P:z P:x P:y P:x P:y P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -6.681 -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 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.00 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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">36 104 85 30 96 33 46 36 44 96 6 54 81 24 4 43 24 54 6 42 21 42 35 97 30 32 45 52 28 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O Tc O O O O O O O O W O O O W O O O W O W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.494</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="31">5.55 3.28 3.19 3.09 2.57 2.57 2.52 2.19 2.02 1.95 1.70 1.66 1.65 1.62 1.55 1.55 1.53 1.45 1.38 1.35 1.29 1.26 1.18 1.17 1.17 1.16 1.12 1.11 1.09 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:z P:x P:x P:z P:z P:z P:x P:x S P:x P:z P:y P:x P:z P:x P:z P:z P:x P:y P:y D:xz P:x P:y P:y P:z P:y 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 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">75 61 58 89 92 79 25 84 72 65 105 71 56 79 73 91 59 59 95 79 65 59 11 25 90 25 70 76 71 74 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O Tc O O O O O O O O O O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.480</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">4.84 4.71 3.27 3.16 2.62 2.20 2.05 1.94 1.70 1.68 1.60 1.57 1.49 1.23 1.20 1.18 1.15 1.14 1.07 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:y D:xz P:x P:z P:y P:y P:x P:z P:z P:x P:x P:z P:z P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -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</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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">89 74 71 83 11 76 25 98 74 94 58 71 91 83 69 40 51 92 59 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.435</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">278</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.89 2.58 2.41 2.33 1.91 1.82 1.80 1.74 1.66 1.42 1.42 1.38 1.35 1.33 1.28 1.25 1.21 1.16 1.14 1.13 1.12 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:y P:z P:y D:z2 P:y P:x D:yz P:x P:x P:x P:x P:z P:x P:z P:y P:y P:z 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">92 61 72 98 91 14 79 65 8 59 84 51 68 99 46 89 60 59 63 93 87 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O W O O W O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.431</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="17">2.47 2.25 1.96 1.52 1.44 1.43 1.31 1.30 1.24 1.22 1.17 1.17 1.14 1.12 1.09 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:x P:x P:x P:x P:z P:z P:y P:y P:x P:z P:z P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">87 48 46 76 42 39 72 28 83 71 38 90 42 43 57 61 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.415</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="22">2.97 2.39 2.38 2.13 1.92 1.88 1.80 1.62 1.59 1.51 1.50 1.37 1.28 1.16 1.16 1.12 1.12 1.06 1.05 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">D:x2-y2 P:x P:x P:x P:x P:z P:y P:y P:z P:z P:z P:y P:z P:z P:y P:x D:xz P:y P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               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 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">2 39 46 37 45 48 42 34 55 66 45 87 53 43 32 32 20 47 48 36 45 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W 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">-9.394</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="26">4.07 3.05 2.45 2.06 1.93 1.92 1.84 1.76 1.56 1.54 1.50 1.49 1.44 1.36 1.32 1.27 1.25 1.23 1.22 1.20 1.19 1.17 1.12 1.06 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:z D:x2-y2 P:x P:x P:x P:x P:x P:x P:y P:x D:z2 P:z P:x P:y D:xz D:x2-y2 P:y D:xz P:y P:x 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 -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 -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="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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">95 43 86 2 46 84 67 95 89 80 45 45 19 32 36 65 11 9 90 3 74 83 25 58 71 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O O O O O O O O W O O O W 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">-9.372</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">5.20 3.89 3.79 2.97 2.61 2.31 1.92 1.79 1.76 1.75 1.75 1.66 1.66 1.47 1.28 1.21 1.19 1.19 1.12 1.10 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:z P:x P:y P:x P:y P:x P:x D:z2 D:xy P:z D:xz P:y P:z P:x D:xz P:x P:x D:x2-y2 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 -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="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 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="21">81 66 86 96 55 66 90 42 81 19 21 55 20 67 74 95 4 23 43 20 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O 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">-9.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">283</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">5.77 3.86 3.29 2.55 2.23 2.14 1.73 1.60 1.56 1.56 1.48 1.23 1.20 1.12 1.09 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:z P:y P:y P:y P:x P:x P:z P:z P:x P:y P:y D:x2-y2 P:y P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">79 90 81 90 87 25 56 79 87 66 80 49 12 92 68 56 89 48</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">-9.340</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="38">4.67 3.28 2.51 2.45 2.21 2.10 1.93 1.84 1.83 1.83 1.81 1.73 1.71 1.64 1.60 1.59 1.55 1.55 1.54 1.48 1.46 1.41 1.36 1.34 1.28 1.26 1.17 1.11 1.11 1.10 1.08 1.07 1.06 1.06 1.05 1.02 1.02 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:y P:z P:x P:z P:x P:x P:y P:z P:y D:z2 D:yz D:x2-y2 P:y P:z D:z2 P:z D:xz P:z P:z P:y P:y P:y D:z2 P:y P:y P:y P:z P:x P:z P:z D:xy P:z P:z P:z P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">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 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 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="38">86 43 81 45 49 53 52 55 31 23 4 5 20 31 26 21 32 19 43 30 57 45 35 18 34 32 87 48 34 38 27 22 53 39 52 77 38 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O W W W O O W O W O O O O O W O O O O O O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.334</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="21">4.42 4.23 3.15 3.13 2.57 2.49 2.39 2.05 1.89 1.73 1.70 1.65 1.39 1.28 1.22 1.18 1.16 1.04 1.02 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:z P:y P:z P:x P:y P:z P:y P:x P:z P:y P:x P:x P:y P:x P:x D:xz P:x P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">87 48 87 48 43 28 79 23 49 77 90 81 66 46 90 25 86 18 48 74 1</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 W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.319</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="20">6.22 4.27 3.79 3.50 3.29 2.59 2.43 2.35 1.82 1.75 1.62 1.59 1.49 1.39 1.31 1.20 1.09 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:x D:xy P:y P:y P:z D:xz P:z P:z D:yz P:y P:x P:x P:z P:x D:z2 P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">80 66 88 16 74 79 90 15 80 25 16 56 66 83 71 71 8 51 59 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W O O O W O O W O O O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">287</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.30 4.04 3.50 3.35 3.21 2.65 2.18 1.93 1.80 1.51 1.44 1.43 1.41 1.40 1.27 1.20 1.19 1.16 1.12 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:z D:yz D:z2 P:y P:z P:z D:z2 P:y D:yz P:z P:y P:x P:y P:z P:x P:x P:y D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">88 79 67 90 15 7 89 72 66 12 69 11 100 88 56 90 60 90 67 56 12 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W W O O O W 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">-9.297</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="23">6.82 4.92 4.16 2.94 2.84 2.82 2.37 2.36 2.15 2.07 1.99 1.79 1.67 1.47 1.43 1.41 1.39 1.39 1.38 1.27 1.12 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:x P:x P:y D:xy P:y P:x P:y P:x P:x P:y P:z P:x D:xy D:xy D:xz D:xz P:y P:x P:y P:y 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 -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 -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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">90 79 66 12 56 66 95 64 95 25 100 62 7 14 12 7 55 43 67 87 95 86 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W O O O O O O O O W W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.284</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">5.27 3.18 2.74 2.13 1.94 1.83 1.75 1.74 1.62 1.55 1.48 1.47 1.40 1.39 1.38 1.31 1.27 1.20 1.13 1.06 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:z P:x P:z P:z P:y P:y P:z D:xy P:z D:x2-y2 P:y P:x P:x P:z P:y P:x 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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="23">87 66 48 87 88 49 88 43 23 48 14 81 20 55 90 95 55 25 45 52 90 51 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W O W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.280</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.32 2.88 2.72 2.52 2.34 2.21 2.13 2.05 1.81 1.71 1.61 1.59 1.53 1.44 1.42 1.40 1.39 1.33 1.28 1.18 1.15 1.13 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:z P:z P:y P:y P:x P:y P:y D:z2 P:z P:x P:z P:y P:x P:z D:yz P:z D:xy D:xz P:y 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 -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="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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="23">23 81 66 49 25 43 23 22 49 43 45 81 23 34 21 52 14 4 86 56 53 100 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O 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">-9.275</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">6.14 4.08 3.92 3.84 2.80 2.52 1.89 1.86 1.83 1.79 1.78 1.61 1.60 1.56 1.48 1.48 1.47 1.41 1.35 1.27 1.27 1.13 1.10 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:x P:z P:y P:x D:x2-y2 P:z P:x D:x2-y2 D:yz P:z P:y D:xy P:z P:z P:x P:y P:z P:x P:y P:y D:xz P:z 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 -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 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">56 95 95 25 9 56 66 13 13 25 25 8 80 23 98 66 66 79 63 89 9 45 14 14 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O W O O W W O O W O O 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">-9.273</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="27">8.81 7.49 5.78 4.13 4.09 3.64 3.00 2.92 2.60 2.55 2.51 2.19 2.02 1.69 1.54 1.46 1.40 1.37 1.31 1.31 1.30 1.28 1.19 1.17 1.15 1.13 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:y D:z2 P:y P:y P:y D:z2 D:yz P:x D:yz P:x P:z P:y P:x P:z D:xy P:x D:yz P:y P:z P:y P:y D:yz D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">43 48 81 18 49 87 23 1 4 81 22 87 87 27 48 38 1 32 5 38 27 53 55 21 1 49 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O W O O O W W O W O O O O O W O W O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.259</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">6.33 5.67 4.32 4.11 4.11 4.08 2.83 2.62 2.05 1.95 1.67 1.50 1.38 1.28 1.07 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:y P:x P:y P:x D:xy P:x P:x P:y P:z P:z P:z D:xy P:y P:x P:y 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492</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 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">32 55 55 86 48 3 45 87 33 48 87 86 19 67 31 80 18 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O W O O O O O O W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">294</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.35 4.29 3.91 3.46 3.15 3.03 2.83 2.52 2.46 2.25 2.20 1.90 1.88 1.65 1.58 1.53 1.37 1.34 1.27 1.18 1.16 1.13 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:z P:y P:y P:z P:x D:yz P:y D:yz P:x P:x P:z D:z2 P:z P:x P:y P:z P:z D:x2-y2 P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 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="23">80 89 32 90 88 67 32 11 79 16 87 86 79 10 55 48 69 101 89 3 43 48 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W O W 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">-9.244</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">295</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.63 3.94 3.40 3.09 3.04 2.46 2.15 2.09 1.96 1.91 1.91 1.67 1.66 1.52 1.50 1.40 1.33 1.27 1.25 1.12 1.10 1.08 1.07 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:x P:y P:z P:z P:y P:x P:y P:x D:yz D:x2-y2 P:y P:x P:z D:yz P:x P:x P:x P:z P:z P:z P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">32 90 32 89 80 67 79 86 88 43 11 3 48 36 55 16 80 88 87 79 89 101 66 10 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W W O O O W O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.230</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">8.38 4.45 4.43 4.36 2.97 2.59 2.50 2.08 2.03 1.96 1.67 1.66 1.60 1.56 1.53 1.48 1.37 1.29 1.26 1.20 1.10 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y P:y P:x P:y D:xz P:y P:z P:x P:y D:xy D:xz D:xy P:y D:xy P:y P:y D:x2-y2 D:xy P:x P:x 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 -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 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681</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 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 95 74 95 67 55 9 80 65 80 65 10 10 9 90 16 40 76 9 17 56 81 56 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O O O W W W O W O O W W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.163</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="12">14.87 9.28 8.81 5.58 4.22 4.21 4.09 1.76 1.42 1.36 1.31 1.23</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:z P:y P:y P:x P:x P:x P:y P:z P:z P:x D:z2</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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">89 88 80 56 56 95 25 95 25 73 75 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-9.154</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="17">11.58 10.88 7.00 5.87 5.20 5.16 2.62 1.96 1.79 1.52 1.43 1.21 1.20 1.09 1.07 1.06 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:x P:y P:x P:z P:x P:z P:z P:z P:y D:x2-y2 P:x P:y P:y P:y P:z 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 -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="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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">67 66 80 95 88 25 25 67 80 56 14 78 82 25 95 89 16</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 O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.147</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="15">10.33 9.30 8.85 5.84 4.15 3.86 2.77 2.77 2.23 2.12 1.69 1.47 1.26 1.10 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">P:x P:z P:y P:x P:y P:y P:x P:x P:z P:x P:z D:xz P:z P:z P:y</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">86 23 49 45 45 55 55 32 43 41 45 19 86 32 81</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">-9.110</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="29">7.33 7.21 4.99 4.87 4.28 3.71 2.46 2.18 2.05 1.97 1.92 1.91 1.59 1.57 1.56 1.54 1.40 1.37 1.26 1.24 1.22 1.19 1.15 1.10 1.07 1.05 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z P:y P:x P:x P:z P:z P:y P:x P:x P:x P:x P:z P:x P:y P:y D:x2-y2 D:xz P:z P:x P:y P:z D:xy P:y P:z D:x2-y2 P:y 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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 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="29">81 43 49 86 32 23 81 55 55 77 45 53 32 34 34 50 21 21 26 35 43 47 4 28 31 5 27 52 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O W W O O 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">-9.035</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="18">7.47 6.63 5.12 4.28 4.07 3.99 3.11 3.09 2.94 2.64 2.18 2.11 1.70 1.64 1.62 1.38 1.24 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:z P:z P:z P:z P:x D:z2 P:z P:x P:y P:x P:z D:xz P:z P:x P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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="18">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">25 89 74 40 61 70 105 84 51 79 91 70 17 88 66 58 40 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O Tc 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">-9.003</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">7.81 5.21 4.46 4.30 4.25 3.44 3.35 2.78 2.70 2.33 2.24 2.10 2.01 1.94 1.88 1.85 1.83 1.37 1.25 1.17 1.15 1.15 1.14 1.08 1.08 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:y P:y P:z P:z D:yz D:yz P:y P:y P:y P:y P:y D:z2 P:y P:y P:z P:z P:x P:z D:yz D:z2 P:y P:z P:z P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">49 48 34 23 53 27 5 22 52 43 27 85 49 1 81 38 35 38 45 87 4 18 45 43 33 81 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O W W O O O O O W O O O O O O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.997</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="27">4.18 3.41 3.30 2.76 2.26 2.16 2.01 1.82 1.69 1.52 1.49 1.39 1.34 1.33 1.31 1.24 1.19 1.19 1.16 1.14 1.12 1.10 1.07 1.07 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:y P:y P:y P:y P:y P:x P:y P:y P:x P:z D:yz D:yz P:x P:x P:x P:x P:y D:xy P:y P:z D:xy P:z D:x2-y2 P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.00 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">29 45 23 54 85 40 87 49 45 29 48 44 2 22 55 67 24 33 27 1 30 24 104 77 6 81 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O W W O O O O O W O O Tc O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.990</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="28">6.21 5.04 4.74 4.34 4.15 4.00 3.69 3.24 3.11 2.89 2.49 2.44 2.40 2.23 2.06 1.99 1.93 1.89 1.74 1.62 1.56 1.44 1.41 1.40 1.32 1.30 1.21 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:x P:x P:x P:y P:x P:z P:z P:y D:xy P:z D:x2-y2 D:xy P:y D:xy D:yz D:xy P:y P:z P:x P:x D:x2-y2 D:x2-y2 P:x P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -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 -9.089 -4.492 -4.492 -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 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">56 25 90 79 94 66 63 95 56 62 12 62 13 7 95 14 13 8 63 64 98 25 9 8 93 94 93 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O W O W W O W W W 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">-8.977</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="23">5.65 3.41 3.08 2.75 2.65 2.41 2.06 1.96 1.82 1.77 1.72 1.70 1.54 1.40 1.31 1.28 1.26 1.24 1.20 1.18 1.14 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:y D:xz P:x D:yz P:x P:z P:y D:xz P:z P:x P:y P:x P:y P:y P:y P:z P:x P:y 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 -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 -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 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">60 64 64 12 99 17 68 59 91 7 92 67 61 72 98 70 25 29 33 29 93 79 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W O W O O O W O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.960</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="20">5.21 4.30 4.01 3.71 2.85 2.57 2.42 2.39 2.21 2.00 1.87 1.67 1.65 1.60 1.56 1.40 1.33 1.22 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:x P:x P:x P:y P:y P:y P:z D:yz D:xz P:x P:x P:y P:x P:x 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 -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="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">29 87 33 24 86 30 85 86 29 19 18 77 30 23 54 100 37 54 31 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.933</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="19">3.57 2.29 2.21 1.80 1.79 1.77 1.75 1.74 1.71 1.69 1.56 1.47 1.35 1.34 1.28 1.25 1.15 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:x P:z P:z P:z P:x P:y P:y P:z P:z P:x P:z P:x P:y P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 73 66 87 50 43 38 48 47 81 55 95 75 67 43 81 60 32 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">-8.921</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">5.92 4.88 3.42 3.08 2.85 2.58 2.34 2.27 2.01 1.91 1.78 1.76 1.67 1.62 1.48 1.33 1.31 1.29 1.25 1.24 1.23 1.22 1.21 1.17 1.14 1.11 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:y P:x P:x P:y D:yz P:y P:z P:y D:xy P:z P:z D:xz P:x D:xz P:y P:y P:z D:yz D:xy P:x D:xz 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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -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 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">38 29 29 35 52 57 6 28 24 30 4 26 77 1 81 21 24 44 30 19 6 43 18 45 77 85 41 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O W O O O W O O W O W 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">-8.908</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="21">7.28 6.58 5.75 5.48 5.08 4.89 3.95 3.38 3.03 2.93 2.81 2.74 2.70 2.45 2.43 2.40 2.13 2.09 1.83 1.36 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:z P:y P:z P:y D:z2 P:y D:yz D:yz D:z2 P:y P:z D:yz D:z2 P:y P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">90 88 80 79 67 89 99 68 10 60 15 11 7 67 69 16 12 101 60 79 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W O W W W O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.871</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">4.23 4.15 3.84 3.71 3.37 2.88 2.57 2.29 1.92 1.88 1.78 1.74 1.55 1.27 1.16 1.14 1.13 1.12 1.10 1.06 1.05 1.04 1.03 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x P:x P:y P:z P:y P:z P:x P:z P:x P:x P:z P:z D:yz P:y P:x P:x D:yz D:z2 P:z P:x P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">87 86 48 45 55 36 96 54 33 34 24 32 53 87 42 20 30 52 35 3 20 48 50 30 19 46</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 O 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">-8.844</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">3.03 3.01 2.74 2.27 2.16 2.09 2.06 1.94 1.82 1.81 1.60 1.58 1.51 1.50 1.50 1.50 1.46 1.30 1.28 1.25 1.14 1.12 1.11 1.10 1.08 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:z P:y P:x P:x P:x P:x P:x 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:x D:xy P:x 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 -4.492 -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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">88 80 89 67 48 101 69 67 25 87 68 58 99 80 88 84 73 93 56 51 76 66 11 45 71 89 95</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 W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.830</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="25">4.09 3.60 2.97 2.58 2.47 2.40 2.32 2.06 1.85 1.83 1.81 1.61 1.55 1.54 1.46 1.40 1.39 1.37 1.37 1.27 1.23 1.21 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:z P:y P:x P:x P:y P:y P:y P:x P:x P:z P:z P:x P:z P:x P:y P:x P:z P:z P:y P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">56 40 79 39 67 90 74 75 45 80 23 89 73 32 48 78 49 25 75 80 55 79 48 56 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.815</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="21">7.63 6.48 4.82 4.33 2.98 2.97 2.57 2.55 1.96 1.92 1.91 1.89 1.83 1.66 1.40 1.29 1.18 1.13 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:y P:z P:z P:y D:z2 P:x P:x P:x P:y P:x P:y D:xy P:z D:x2-y2 D:xy D:xz P:z P:z 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -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 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">32 45 55 86 2 48 87 24 31 30 87 3 31 19 19 1 41 86 97 33 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O W O O O O O O W O W W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.806</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="25">4.04 3.25 3.22 2.87 2.34 2.28 2.19 2.12 2.12 2.10 2.07 2.05 1.77 1.73 1.69 1.67 1.63 1.47 1.47 1.33 1.27 1.21 1.16 1.16 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:z P:y P:y P:y P:z P:y P:z P:x P:z P:z P:z P:x P:z P:y P:x P:z P:y P:x P:x P:z D:x2-y2 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 -6.681 -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 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">90 78 40 79 74 41 47 67 48 82 73 41 87 48 55 56 95 50 23 87 81 82 50 105 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.791</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="26">5.84 3.58 2.89 2.89 2.81 2.79 2.35 2.20 1.96 1.87 1.78 1.77 1.75 1.73 1.59 1.55 1.46 1.43 1.23 1.19 1.19 1.14 1.06 1.04 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:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z P:x P:y P:x P:x P:z P:z P:x D:xz P:x P:x D:xz P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">73 88 39 80 40 66 95 75 55 66 75 50 67 40 56 23 88 56 86 15 89 78 14 82 55 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 W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.772</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="24">4.77 3.22 3.15 2.75 2.69 2.53 2.24 2.12 1.92 1.88 1.84 1.83 1.83 1.80 1.76 1.73 1.49 1.45 1.38 1.31 1.21 1.19 1.18 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:y P:z P:z P:y P:x P:z P:y P:x P:y P:y P:z P:x P:z P:y P:z P:y P:z P:x 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">32 55 50 47 67 41 48 100 79 78 87 90 74 87 47 82 41 50 67 48 43 95 41 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.763</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="22">6.97 4.35 4.02 2.21 2.17 2.08 1.96 1.86 1.78 1.70 1.66 1.45 1.40 1.39 1.36 1.31 1.28 1.06 1.05 1.05 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:z P:x P:y P:z P:z P:y P:x P:z P:y P:y P:z P:z P:z P:y P:z P:z P:x P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">23 32 49 39 99 68 47 69 39 101 50 80 90 88 67 55 49 55 56 86 40 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.740</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="28">2.94 2.81 2.72 2.64 2.47 2.20 1.97 1.69 1.58 1.58 1.49 1.48 1.45 1.34 1.33 1.31 1.29 1.27 1.27 1.22 1.15 1.12 1.08 1.05 1.04 1.04 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:z P:y P:z P:y P:y P:x P:x P:y P:z P:z P:y P:z P:z P:x P:x P:x P:x P:x 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="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">99 101 69 68 43 60 88 50 79 49 67 79 72 56 60 32 86 47 55 95 23 81 41 45 25 94 90 23</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">-8.726</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="20">5.02 3.84 3.84 3.66 3.62 3.53 2.96 2.81 2.71 2.00 1.92 1.79 1.76 1.76 1.42 1.40 1.34 1.32 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:z P:z P:y P:z P:z P:y P:y P:y P:y P:z P:y P:z P:z P:y P:y P:z 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 -9.089 -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">53 81 34 87 35 52 23 43 48 38 38 27 49 27 25 56 44 43 56 23</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">-8.718</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="25">4.12 3.60 3.51 3.16 2.87 2.28 2.28 2.16 2.10 1.95 1.75 1.60 1.56 1.46 1.43 1.31 1.22 1.18 1.12 1.10 1.09 1.08 1.08 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:z P:x P:x P:y P:z P:x P:x P:y P:y P:x P:y P:z P:z P:x P:y P:y P:z P:y P:y P:y P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">58 82 25 80 88 69 95 56 73 68 75 89 25 101 95 67 63 25 51 62 78 93 51 75 51</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">-8.710</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="28">3.79 2.35 2.28 2.14 2.14 2.13 1.99 1.91 1.81 1.75 1.74 1.67 1.63 1.54 1.42 1.38 1.20 1.19 1.17 1.12 1.11 1.10 1.09 1.06 1.05 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x P:y P:x P:y P:y P:z P:z P:z P:y P:x P:z P:z P:z P:x P:y D:yz P:y P:z P:z P:x P:z P:z P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 1.00 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="28">58 43 51 71 95 96 37 49 62 86 43 25 48 26 47 79 49 105 65 41 35 66 40 42 100 34 92 61</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 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">-8.693</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="24">4.19 3.50 2.89 2.64 2.51 2.16 1.97 1.91 1.80 1.76 1.76 1.74 1.70 1.39 1.38 1.35 1.34 1.21 1.19 1.17 1.14 1.07 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:z P:z P:x P:x P:z P:z P:z P:z P:x P:z P:y P:x P:y P:z P:y P:x P:z P:z P:z 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">71 66 58 89 51 78 62 82 79 43 61 23 65 59 83 67 96 65 91 86 47 73 37 49</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">-8.680</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">3.86 3.41 3.33 2.82 2.70 2.64 2.24 2.12 2.07 1.96 1.71 1.70 1.69 1.48 1.39 1.36 1.36 1.26 1.26 1.24 1.21 1.13 1.09 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:x P:y P:z P:y P:y P:y P:y P:y P:x P:y P:x P:z P:z P:y P:x P:x P:x P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">81 36 49 46 96 97 45 23 42 50 48 27 57 44 56 77 87 28 94 93 47 98 77 41 32</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">-8.676</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">5.87 4.60 4.48 4.16 3.60 3.38 3.15 3.02 2.42 2.28 2.23 2.16 1.80 1.77 1.65 1.57 1.55 1.42 1.37 1.36 1.32 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 P:y P:x P:x P:z P:y P:y P:x P:y P:x P:x P:y P:z P:y P:z P:y P:y P:y P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">94 93 66 63 98 95 62 64 56 90 90 79 71 64 95 79 63 98 88 63 94 25 62</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">-8.633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">3.98 3.54 3.27 3.17 3.07 2.83 2.44 2.44 2.37 2.33 1.99 1.88 1.86 1.74 1.72 1.72 1.69 1.66 1.59 1.53 1.52 1.49 1.42 1.35 1.28 1.24 1.24 1.21 1.20 1.13 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:y P:z P:y P:x P:z P:y P:y P:y P:y P:y P:z P:z P:x P:z P:x P:x P:y P:y P:y P:x P:z P:x P:y P:x P:y P:x P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">65 58 71 80 51 92 25 71 60 56 101 59 58 92 60 95 58 40 61 73 66 69 76 91 71 89 61 99 89 83 78 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">-8.622</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="26">5.07 3.05 2.86 2.52 2.33 2.19 2.09 2.00 1.81 1.67 1.63 1.59 1.56 1.52 1.45 1.45 1.44 1.25 1.20 1.18 1.16 1.06 1.03 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:z P:z P:x P:x P:z P:x D:z2 P:y P:z P:z P:x P:z P:x P:z P:x P:z P:z P:x P:z P:x P:y P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">40 86 23 25 40 23 32 49 105 49 88 89 46 78 57 48 88 47 39 50 75 39 87 43 77 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O Tc O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.609</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="29">4.21 2.79 2.52 2.08 2.04 2.01 1.71 1.65 1.65 1.65 1.53 1.50 1.46 1.46 1.42 1.42 1.39 1.38 1.36 1.31 1.27 1.26 1.21 1.19 1.12 1.10 1.09 1.07 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:x P:y P:y P:x P:y P:x P:y P:y P:z P:y P:x P:z P:y P:x P:x P:y P:y P:y D:yz P:y P:y P:y P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">40 67 28 82 75 46 71 65 49 55 36 90 42 92 73 57 26 74 88 56 105 80 79 78 45 44 85 97 83</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">-8.594</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">3.98 3.57 3.57 2.77 2.76 2.69 2.53 2.41 2.37 2.36 1.94 1.88 1.69 1.38 1.36 1.33 1.32 1.26 1.25 1.22 1.21 1.20 1.18 1.18 1.17 1.15 1.08 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:x P:y P:x P:x P:x P:z P:z P:x P:y P:z P:z P:y P:x P:y P:y P:y D:z2 D:xy P:y P:z P:y P:z P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 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="28">46 36 28 40 57 44 77 97 100 42 96 28 40 75 26 42 82 79 105 104 56 50 37 25 67 85 46 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O Tc 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">-8.511</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="33">3.93 3.20 2.61 2.50 2.43 2.42 2.36 2.31 2.29 2.28 2.28 2.27 2.20 2.07 2.05 2.02 1.98 1.93 1.87 1.85 1.69 1.46 1.44 1.35 1.32 1.30 1.26 1.25 1.22 1.19 1.16 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:y P:z P:z P:x P:x P:z P:y P:x P:y P:x P:z P:z P:x P:z P:x P:y P:y P:y P:z P:y P:x P:z P:z P:y P:x P:z P:y P:z P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">97 26 37 57 37 31 23 35 32 49 29 44 34 36 52 96 33 85 77 46 53 30 24 54 42 55 28 24 85 38 54 27 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.503</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="35">4.77 4.30 3.21 3.07 2.83 2.49 2.46 2.39 2.37 2.13 2.08 2.08 1.95 1.94 1.83 1.82 1.78 1.63 1.49 1.46 1.40 1.40 1.36 1.35 1.34 1.32 1.32 1.28 1.27 1.19 1.19 1.17 1.13 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:x P:y P:x P:y P:y P:z P:z P:y P:y P:x P:z P:x P:z P:x P:z P:z P:z P:x P:z P:z P:y P:x P:y P:y P:x P:y P:y P:y P:z P:x P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">84 70 76 83 69 99 68 101 59 93 64 51 25 91 58 60 88 72 56 98 61 67 61 92 80 71 63 65 60 89 62 91 94 56 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.419</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="25">6.32 6.15 4.87 4.39 3.99 3.62 3.01 2.77 2.53 2.17 2.13 1.84 1.65 1.49 1.46 1.41 1.39 1.33 1.30 1.19 1.12 1.11 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:x P:x P:x P:z P:z P:x P:z P:y P:z P:z P:z P:z P:z P:z P:z P:y D:z2 D:xz P:x P:x P:x P:x P:x D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -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 -6.681 -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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">89 84 70 74 66 72 84 70 71 91 82 63 73 79 90 78 17 17 61 71 60 82 73 105 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O W W O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.398</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="33">6.44 4.94 4.74 3.47 3.03 2.68 2.57 2.49 2.30 2.13 1.87 1.85 1.66 1.63 1.55 1.53 1.51 1.46 1.44 1.41 1.25 1.22 1.19 1.18 1.17 1.15 1.15 1.14 1.14 1.10 1.07 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:x P:y P:y P:x P:y P:x P:z P:z P:x P:y P:x P:y P:x D:x2-y2 P:z P:y P:y P:y P:x P:y P:y P:y P:y P:z P:y P:y P:y P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -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 -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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">37 85 45 46 100 41 43 86 26 81 77 53 47 37 6 45 57 50 48 34 54 86 97 85 33 42 100 39 87 44 96 38 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O W O O O O O O O O O O O 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">333</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.88 4.52 3.40 2.51 2.35 2.32 2.28 2.21 2.14 2.08 2.05 1.66 1.43 1.35 1.33 1.31 1.25 1.24 1.20 1.12 1.12 1.10 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:y P:z D:xy P:z P:z D:xy P:y P:z P:y P:y D:z2 P:x P:z D:xz P:z P:z P:x P:x P:x 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">42 46 36 96 22 50 77 4 28 33 24 47 105 85 24 5 87 30 52 81 28 33 23 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W O O W O O O O Tc 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">-8.256</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">334</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.56 3.28 2.14 2.08 2.08 1.96 1.90 1.75 1.70 1.59 1.53 1.43 1.40 1.36 1.33 1.28 1.26 1.19 1.19 1.18 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x D:yz P:x D:x2-y2 D:z2 P:y P:x P:z P:y P:y P:y P:y D:z2 P:y P:z P:x P:z P:z D:z2 P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -6.681 -9.089 -6.681 -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 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.00 1.33 1.00 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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">72 105 69 105 13 58 58 59 70 71 46 74 9 51 51 60 65 64 105 82 62 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O Tc O Tc W O O O O O O O W O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.244</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="23">4.71 4.00 3.22 2.90 2.78 2.56 2.24 2.21 2.05 1.99 1.95 1.61 1.58 1.50 1.50 1.41 1.31 1.29 1.23 1.19 1.11 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">D:x2-y2 P:x P:x P:y P:x P:z P:y P:y P:z P:z D:xy P:x D:xy P:x P:z P:y P:y P:z P:x P:x P:z P:y P:x</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 -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</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 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">105 101 72 65 68 64 51 92 58 62 104 71 105 49 92 64 55 99 96 65 51 78 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc O O O O O O O O O Tc 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">-8.206</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.94 2.82 2.44 2.20 1.95 1.92 1.86 1.81 1.74 1.67 1.60 1.50 1.45 1.44 1.42 1.34 1.26 1.26 1.25 1.21 1.17 1.16 1.13 1.06 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:x P:y P:z P:x P:z P:x P:z P:x D:xz P:y P:x P:x P:x P:z D:yz P:y P:x P:z P:x P:x P:z P:z P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 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="26">23 91 32 88 25 70 93 36 104 61 72 99 84 71 105 55 50 96 35 37 58 46 49 83 25 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O Tc O O O O O Tc O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.00 4.58 3.17 2.87 2.63 2.52 2.38 2.17 2.06 1.96 1.83 1.79 1.71 1.61 1.59 1.47 1.33 1.33 1.30 1.30 1.30 1.27 1.19 1.15 1.06 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:y P:y P:x P:y P:x D:z2 P:z D:xz P:x P:z P:y D:z2 P:z P:y D:xz D:yz D:z2 P:z P:x P:z D:xy P:x 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -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 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.00 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">61 99 58 91 69 71 68 13 71 12 92 83 47 9 59 65 7 14 105 51 71 50 7 61 35 92 58 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W O W O O O W O O W W Tc O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.123</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="24">2.86 2.42 2.27 2.26 2.24 2.11 2.08 1.93 1.92 1.65 1.55 1.50 1.47 1.41 1.40 1.38 1.37 1.33 1.29 1.29 1.21 1.13 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:x P:x P:x P:x P:z P:y P:z P:x P:y P:z P:y P:x P:y P:z P:y P:y P:z P:z P:y P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">84 101 68 52 49 94 58 65 37 55 82 70 60 95 76 36 61 93 74 91 64 42 84 62</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">-8.100</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="21">5.51 3.72 2.68 2.36 2.15 1.96 1.59 1.55 1.47 1.46 1.39 1.36 1.32 1.28 1.23 1.15 1.14 1.13 1.10 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:x P:z P:y P:z P:z P:x P:x P:z P:z P:x P:z P:y P:x P:x P:y P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">37 47 41 41 48 65 53 97 45 34 52 77 29 86 38 46 29 100 32 34 42</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">-8.088</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="23">9.48 4.17 3.87 3.84 3.22 2.92 2.86 2.78 2.65 2.50 2.42 2.32 2.17 2.15 1.92 1.92 1.77 1.72 1.59 1.58 1.45 1.14 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z D:xy P:z P:x P:z P:z P:z D:xy P:y P:y P:z D:xz P:y P:z P:y P:y P:x P:x D:xz P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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="23">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 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">51 65 15 98 65 63 59 92 11 84 98 83 10 63 93 94 91 51 69 16 59 80 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W O O O O O W O 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">-8.067</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="19">4.77 4.20 3.10 2.58 2.57 2.55 2.47 2.16 1.89 1.78 1.70 1.69 1.48 1.28 1.22 1.21 1.10 1.10 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:x P:z P:x P:x P:x P:y P:y P:x P:x P:x P:y P:x P:x P:z P:z P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">73 75 78 50 39 41 75 80 87 82 39 64 90 78 56 26 66 23 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.040</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">342</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.22 3.37 3.23 3.09 3.03 2.32 2.29 2.29 2.04 1.92 1.88 1.67 1.47 1.45 1.31 1.30 1.17 1.17 1.10 1.08 1.08 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:y P:y P:y P:y P:z P:y P:x D:xz P:z P:y P:x P:z P:z P:z P:x P:x P:z P:x P:x P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">96 35 28 57 36 96 26 46 26 1 42 24 50 36 100 24 57 97 41 27 47 41 77 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">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">-8.020</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">343</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.42 6.54 4.78 3.63 3.36 3.10 2.75 2.62 2.53 2.33 2.06 1.79 1.70 1.54 1.50 1.41 1.20 1.17 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">D:yz P:z P:y P:z P:x P:x P:x P:z P:y P:z P:y P:x P:y D:xy P:x D:z2 P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">104 31 36 42 27 24 35 54 57 85 31 53 53 22 34 20 36 77 74 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc O O 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">-7.989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.86 4.72 3.98 3.05 2.98 2.63 2.33 1.99 1.97 1.86 1.81 1.77 1.75 1.40 1.34 1.32 1.28 1.26 1.26 1.24 1.22 1.21 1.09 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:x P:x P:y P:z D:yz P:x P:y P:x P:y P:x P:y P:x P:z P:x P:y P:z P:x 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">50 100 97 52 31 96 104 100 46 23 74 33 41 34 32 96 100 28 30 47 78 86 29 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O Tc O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.955</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="30">3.91 3.11 2.58 2.49 2.34 2.31 2.23 2.07 2.06 1.87 1.80 1.77 1.72 1.68 1.63 1.43 1.41 1.35 1.35 1.31 1.29 1.24 1.21 1.20 1.10 1.06 1.06 1.06 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:y P:x P:x P:x P:z P:x P:y P:x P:z P:z P:x D:xy P:z P:x P:z P:z P:y P:y P:z P:z P:y P:x P:z P:z 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 -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="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 1.00 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="30">39 56 74 80 27 49 41 47 36 97 47 75 78 104 73 76 88 100 76 39 78 82 73 54 71 45 78 42 48 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O Tc O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">346</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.85 3.51 3.05 3.01 2.74 2.26 2.21 2.05 1.94 1.89 1.86 1.81 1.64 1.57 1.52 1.48 1.45 1.39 1.35 1.33 1.31 1.30 1.26 1.25 1.12 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z P:y P:y P:z P:y P:y P:y P:z P:y P:y P:x P:z P:z P:y P:z P:x P:x P:z P:x P:y P:x P:z P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">74 82 39 78 73 75 25 59 75 66 73 58 50 76 93 79 39 76 46 92 80 23 90 67 76 62 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">-7.920</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="25">4.50 3.94 3.78 2.60 2.49 2.48 2.17 2.14 1.81 1.80 1.74 1.72 1.72 1.58 1.56 1.42 1.39 1.37 1.35 1.24 1.23 1.21 1.20 1.19 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:y P:x P:z P:z P:z P:z P:z 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: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">75 39 82 78 39 47 75 50 43 55 45 50 32 67 23 47 73 47 41 40 41 70 49 81 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.878</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="23">5.74 4.02 2.91 2.58 2.51 2.32 2.11 1.99 1.87 1.75 1.72 1.66 1.54 1.53 1.40 1.34 1.31 1.30 1.15 1.11 1.10 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:y P:y P:z P:x P:y P:y P:x P:z P:z P:z P:z P:y P:z P:z P:z P:x P:z P:x 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">70 85 24 84 73 41 35 97 98 30 34 85 76 94 55 68 37 75 85 88 93 64 81</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">-7.842</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="25">5.03 3.85 3.23 2.94 2.36 2.36 2.26 2.06 1.97 1.97 1.90 1.74 1.68 1.63 1.63 1.35 1.33 1.31 1.24 1.19 1.16 1.15 1.09 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:x P:y P:z P:z P:y P:z P:z P:z P:y P:x P:x P:x P:x P:y P:y P:x P:x P:z P:z P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">70 30 73 24 41 44 85 84 33 98 41 30 39 62 48 93 35 37 31 37 94 85 99 52 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.814</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="23">4.11 3.62 3.11 2.85 2.77 2.74 2.55 2.35 2.01 1.94 1.81 1.79 1.64 1.45 1.33 1.27 1.23 1.17 1.15 1.13 1.12 1.12 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:y P:x P:y P:z P:x P:x P:y P:z P:z P:z P:z P:z P:y P:y P:z P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">99 51 67 74 70 75 84 29 78 65 44 100 61 101 30 32 39 33 34 73 75 83 88</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">-7.802</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="22">4.22 4.01 3.57 3.09 2.61 2.54 2.46 2.30 2.29 2.21 2.07 1.89 1.87 1.51 1.50 1.45 1.32 1.22 1.20 1.15 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:y P:y P:x P:x P:x P:x P:x P:z P:z P:y P:y P:z P:x P:x P:x P:y P:z P:y 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">61 92 76 58 29 76 71 61 51 66 77 59 84 96 83 97 35 71 65 76 36 92</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">-7.793</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="29">5.59 5.53 4.40 4.31 3.10 2.89 2.73 2.57 2.31 2.30 1.82 1.77 1.66 1.65 1.37 1.33 1.30 1.25 1.22 1.21 1.17 1.14 1.12 1.08 1.07 1.06 1.06 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:z P:y P:z P:x P:z P:x P:x P:y P:y P:z P:z P:z P:x P:z P:z P:z P:x P:y P:y P:z P:z P:y P:y P:y P:z 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">36 29 34 24 55 96 24 97 54 35 54 28 46 32 45 85 23 37 28 38 47 39 52 26 29 27 57 32 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.784</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="25">6.94 3.97 3.54 2.33 2.28 2.26 2.10 1.91 1.91 1.84 1.82 1.80 1.76 1.76 1.65 1.61 1.53 1.53 1.50 1.22 1.22 1.17 1.14 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:y P:z P:y P:z P:y P:y P:x P:z P:x P:z P:z P:x P:y P:x P:x P:x P:y P:x P:y P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -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">44 77 53 28 44 52 42 92 42 46 96 61 57 83 28 58 28 97 26 44 76 81 29 36 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.764</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="20">10.63 7.29 6.85 4.98 4.59 4.36 4.23 2.78 2.46 2.40 2.32 2.09 1.81 1.71 1.66 1.62 1.55 1.46 1.18 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:y P:z P:y P:z P:y P:x P:z P:y P:z P:y P:y P:x P:y P:x P:x P:y P:x P:y 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">68 69 60 99 101 60 83 72 92 94 72 73 71 94 64 56 68 62 76 65</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">-7.741</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">355</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.99 7.97 3.31 2.97 2.73 2.65 2.47 2.31 2.30 2.09 1.55 1.54 1.47 1.42 1.35 1.22 1.22 1.14 1.13 1.10 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:y P:y P:x P:y P:x P:y P:z P:y P:z P:z P:y P:y P:z P:x P:z P:x P:x P:x 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">83 74 73 63 93 62 99 95 63 73 93 66 60 101 99 100 97 71 82 76 89 67</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">-7.737</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="24">5.29 4.58 4.39 3.42 3.31 2.79 2.44 2.35 2.23 1.75 1.66 1.62 1.52 1.50 1.49 1.43 1.42 1.40 1.37 1.36 1.18 1.12 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:x P:z P:z P:y P:x P:x P:z P:x P:y P:y P:y P:x P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">97 41 100 41 37 43 39 81 53 44 77 30 45 57 39 43 46 52 47 100 75 46 74 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.646</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="30">3.49 2.77 2.65 2.45 2.28 2.12 1.93 1.93 1.70 1.64 1.55 1.51 1.48 1.48 1.45 1.42 1.38 1.38 1.36 1.35 1.24 1.15 1.11 1.09 1.07 1.06 1.05 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:x P:y P:y P:x P:z P:z P:x P:x P:y P:x P:x P:z P:y P:x P:x P:y P:x P:x P:y P:y P:z P:x P:z P:x P:x P:z P:x 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">46 101 69 42 94 58 63 71 64 23 63 75 72 54 58 96 42 53 78 80 33 55 25 49 65 31 90 34 68 82</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">-7.618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">358</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.48 3.83 2.64 2.53 2.53 2.24 2.10 1.87 1.67 1.61 1.61 1.57 1.54 1.25 1.18 1.17 1.16 1.13 1.10 1.09 1.09 1.02 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:x P:y P:z P:y P:y P:z P:x P:x P:z P:x P:z P:y P:z P:x P:x P:z P:y P:y P:z P:x 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 96 55 32 53 42 46 101 69 34 27 54 38 65 88 72 63 94 33 38 75 62 64 42</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">-7.603</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">359</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.44 3.77 3.31 3.25 3.22 2.89 2.55 2.52 2.30 2.24 2.16 2.07 2.01 1.96 1.90 1.88 1.80 1.76 1.58 1.56 1.51 1.48 1.41 1.19 1.10 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:y P:y P:z P:x P:z P:z P:x P:z P:z P:x P:z P:z P:y P:y P:z P:z P:x P:x P:y P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">62 66 94 92 65 51 61 61 56 65 63 95 71 93 82 98 25 78 59 92 58 95 64 73 98 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">360</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.38 4.05 3.54 3.17 2.94 2.89 2.73 2.42 2.37 2.33 1.92 1.59 1.39 1.35 1.34 1.33 1.24 1.20 1.18 1.14 1.12 1.11 1.10 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:y P:z P:z P:y P:z P:x P:x P:y P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:y P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">81 27 77 34 28 27 24 43 31 57 44 35 97 30 62 47 35 36 83 52 53 85 40 56 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.532</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="23">4.00 3.91 3.72 3.69 3.50 3.41 2.29 2.24 2.05 1.83 1.81 1.64 1.62 1.50 1.41 1.34 1.29 1.23 1.22 1.19 1.16 1.15 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:y P:y P:y P:y P:x P:z P:y P:z P:y P:x P:y P:z P:x P:y P:y P:x 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">83 78 70 74 99 95 58 82 89 68 51 83 91 66 43 88 25 91 84 61 44 82 83</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">-7.503</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="28">5.15 4.45 3.62 3.36 3.14 2.93 2.75 2.41 2.39 2.30 1.99 1.96 1.77 1.69 1.64 1.55 1.50 1.49 1.45 1.25 1.23 1.14 1.13 1.09 1.07 1.03 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:y P:x P:z P:z P:y P:z P:x P:z P:z P:x P:y P:x P:z P:y P:z P:y P:x P:z P:x 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 47 43 50 100 55 34 85 96 32 30 53 50 86 85 83 33 88 24 44 51 78 100 26 95 36 45 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.438</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="30">4.49 3.50 2.67 2.63 2.50 2.49 2.30 2.30 2.22 2.17 1.87 1.85 1.81 1.76 1.75 1.72 1.67 1.55 1.54 1.50 1.48 1.41 1.33 1.20 1.12 1.08 1.06 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:z P:x P:x P:z P:z P:x P:z P:y P:z P:z P:z P:y P:x P:x P:x P:x P:y P:y P:x P:z P:y P:y P:z P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">64 66 24 55 96 81 46 85 44 55 90 40 68 40 40 87 37 23 53 95 62 60 24 85 92 93 61 79 72 61</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">-7.435</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">364</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.97 4.39 3.00 2.97 2.85 2.72 2.54 2.49 2.33 2.32 2.07 2.03 1.95 1.75 1.70 1.69 1.60 1.54 1.44 1.42 1.41 1.37 1.17 1.12 1.11 1.10 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:x P:z P:z P:x P:x P:y P:y P:x P:y P:x P:x P:y P:x P:x P:x P:x P:y P:z P:z P:x P:y P:y P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 32 36 34 66 64 97 85 43 30 30 42 49 42 85 48 23 43 53 37 46 44 24 55 81 53 24 90</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">-7.422</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">365</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.91 4.29 4.18 3.27 3.09 2.96 2.94 2.85 2.62 2.56 2.37 2.36 2.36 2.35 2.22 2.17 2.13 2.02 1.92 1.80 1.71 1.70 1.56 1.54 1.53 1.52 1.45 1.44 1.36 1.14 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:y P:y P:z P:x P:y P:x P:y P:z P:z P:y P:x P:z P:x P:y P:y P:z P:y P:x P:z P:y P:z P:x P:z P:z P:y P:y P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">38 38 87 52 43 35 48 33 81 31 31 29 54 53 48 27 48 43 87 30 24 27 77 41 87 29 28 41 81 34 28</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">-7.419</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="28">5.55 4.42 3.76 3.56 3.52 3.16 2.94 2.90 2.24 2.05 2.02 2.02 1.98 1.92 1.85 1.80 1.42 1.42 1.42 1.40 1.34 1.24 1.23 1.19 1.15 1.13 1.12 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:x P:x P:z P:z P:x P:y P:z P:z P:x P:x P:y P:z P:y P:y P:y P:x P:y P:x P:x P:z P:y P:x P:z 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">95 88 88 83 25 80 64 63 51 71 90 95 70 68 40 69 91 63 76 72 25 92 58 80 98 51 72 79</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">-7.409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">367</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.96 3.79 3.41 3.40 3.04 2.49 2.33 2.29 2.29 2.26 2.26 2.18 2.13 2.06 2.04 1.93 1.86 1.83 1.61 1.61 1.53 1.37 1.33 1.27 1.20 1.14 1.11 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:z P:x P:x P:y P:z P:y P:x P:y P:y P:z P:z P:z P:x P:x P:x P:x P:x P:y P:y P:x P:x P:x P:z P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">67 94 32 70 36 65 66 89 99 99 58 83 40 84 65 67 89 40 58 56 67 56 83 79 65 35 40 76 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">-7.399</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="24">7.63 6.72 5.64 4.81 4.68 4.09 3.38 3.19 2.97 2.43 2.33 2.24 2.05 2.02 1.99 1.81 1.74 1.59 1.54 1.49 1.44 1.38 1.27 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:y P:z P:z P:y P:y P:y P:x P:z P:z P:z P:x P:x P:y P:y P:z P:x P:z P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">52 35 87 49 48 48 23 26 45 87 86 57 54 35 33 45 33 48 96 36 23 44 87 37</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">-7.379</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="27">4.92 4.28 4.19 3.87 3.81 3.77 3.48 3.41 3.40 3.29 3.26 2.91 2.90 2.87 2.83 2.66 2.45 2.43 2.24 2.21 1.82 1.70 1.57 1.46 1.46 1.45 1.16</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:z P:z P:y P:z P:x P:z P:z P:z P:y P:y P:y P:x P:x P:y P:z P:y P:x P:x P:y P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">90 69 59 79 91 101 98 93 89 80 25 90 89 93 79 98 56 70 83 56 25 80 90 91 79 93 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">-7.340</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="21">10.62 9.20 8.67 5.94 5.86 3.92 2.44 2.19 2.11 1.98 1.72 1.54 1.53 1.53 1.37 1.27 1.19 1.18 1.15 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:y P:x P:y P:x P:x P:x P:x P:x P:y P:y P:z P:y P:y P:x P:x P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">72 67 88 64 72 60 71 56 68 58 67 66 64 56 40 101 99 69 95 25 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.336</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">371</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.69 11.13 7.76 3.00 2.84 2.73 2.56 2.51 2.36 2.14 2.00 1.87 1.81 1.62 1.61 1.50 1.48 1.43 1.34 1.24 1.15 1.10 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:y P:z P:x P:z P:z P:x P:y P:x P:y P:x P:x P:x P:y P:z P:x P:x P:y P:x P:x P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">66 95 64 61 62 88 92 63 62 67 83 60 84 80 90 62 25 56 79 94 94 64 76 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.311</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="29">6.53 5.15 4.70 4.43 4.30 3.66 3.50 3.35 2.71 2.39 2.36 2.34 2.34 2.19 2.12 1.72 1.72 1.72 1.63 1.62 1.61 1.55 1.43 1.38 1.21 1.20 1.14 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:y P:y P:y P:z P:z P:y P:x P:z P:z P:z P:y P:x P:y P:x P:x P:z P:z P:y P:z P:x P:x P:x P:y P:z P:z P:x 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">49 23 29 38 29 81 43 38 77 30 38 27 23 28 27 31 86 37 24 24 53 34 57 26 27 85 26 97 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.301</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="31">7.59 5.94 4.28 4.23 3.09 2.92 2.88 2.53 2.45 2.24 2.21 2.05 1.80 1.79 1.72 1.64 1.58 1.54 1.54 1.47 1.47 1.43 1.36 1.28 1.27 1.24 1.18 1.13 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:y P:z P:z P:x P:x P:x P:x P:x P:z P:y P:y P:z P:z P:z P:y P:z P:z P:y P:y P:y P:x P:x P:x P:z P:x P:z P:x P:z 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">27 43 81 38 29 31 38 81 45 46 38 53 24 86 54 77 48 28 35 87 33 42 39 96 34 34 57 52 32 86 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.267</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="28">8.14 5.51 4.92 4.81 4.22 3.83 3.41 2.39 2.31 2.07 2.06 2.03 1.97 1.74 1.73 1.69 1.62 1.53 1.48 1.38 1.37 1.36 1.36 1.34 1.33 1.18 1.13 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:y P:z P:y P:y P:x P:y P:y P:z P:y P:z P:z P:z P:y P:z P:y P:x P:y P:x P:x P:y P:z P:y 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 92 61 58 76 71 70 59 67 95 63 76 91 98 65 94 93 61 88 76 75 70 83 71 84 51 66 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.255</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="28">4.50 4.22 2.98 2.82 2.59 2.44 2.41 2.37 2.18 2.16 2.12 2.08 1.94 1.86 1.67 1.66 1.49 1.34 1.30 1.27 1.24 1.22 1.18 1.10 1.10 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:y P:x P:z P:z P:x P:y P:y P:x P:z P:y P:x P:y P:y P:y P:x P:z P:y P:x P:y P:x P:y P:z P:z P:y 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">53 97 77 99 37 42 68 30 35 29 81 32 48 28 57 44 30 86 26 60 31 62 23 80 26 89 77 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">376</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.85 3.37 2.93 2.87 2.72 2.39 2.35 2.18 1.88 1.76 1.59 1.55 1.53 1.49 1.43 1.42 1.38 1.33 1.31 1.30 1.25 1.19 1.14 1.14 1.13 1.11 1.11 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:y P:y P:x P:z P:z P:z P:z P:z P:y P:y P:z P:x P:y P:y P:z 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: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">37 97 46 99 28 24 77 85 26 35 63 52 87 58 57 55 52 68 49 28 43 34 42 62 80 76 57 34 31 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">377</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.80 4.95 4.64 4.38 4.15 3.26 3.22 3.07 2.88 2.62 2.56 2.50 2.17 2.14 1.98 1.67 1.51 1.49 1.49 1.46 1.46 1.43 1.38 1.33 1.23 1.19 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:x P:x P:x P:y P:x P:x P:x P:z P:x P:y P:x P:z P:x P:z P:z P:z P:x P:z P:y P:z P:z P:y P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">87 81 37 50 53 53 81 85 27 87 47 24 54 55 96 52 47 44 34 38 23 24 86 85 45 30 50 39 34</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">-7.225</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="35">6.31 4.50 4.18 3.99 2.58 2.49 2.40 2.36 2.34 2.30 2.29 2.18 2.03 2.02 1.97 1.91 1.87 1.81 1.74 1.71 1.61 1.58 1.57 1.57 1.55 1.46 1.46 1.41 1.26 1.16 1.11 1.08 1.06 1.05 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:y P:z P:z P:y P:z P:y P:y P:y P:x P:y P:z P:y P:x P:y P:z P:z P:x P:z P:z P:x P:z P:z P:z P:z P:z P:z P:y P:y P:x P:x P:z P:z P:y P:z P: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">66 62 98 63 92 61 62 94 89 78 71 84 61 70 84 93 64 65 101 63 83 76 90 60 94 61 69 64 91 90 64 63 60 72 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.223</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="26">5.60 5.60 4.04 3.58 2.81 2.66 2.56 2.41 2.39 2.38 2.32 2.09 2.07 1.66 1.57 1.57 1.53 1.50 1.46 1.26 1.26 1.22 1.21 1.10 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:x P:z P:x P:y P:x P:x P:x P:x P:x P:y P:x P:z P:y P:z P:z P:x P:y P:z P:z P:z P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">43 48 27 34 47 32 30 97 36 35 34 38 88 48 88 72 44 53 28 51 50 49 72 33 97 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.213</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">4.99 4.13 4.04 3.82 3.43 3.14 2.88 2.86 2.74 2.49 2.35 2.33 2.25 2.11 2.06 2.02 1.64 1.46 1.45 1.35 1.27 1.19 1.19 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:y P:y P:y P:x P:z P:x P:z P:x P:x P:x P:y P:z P:z P:y P:x P:y P:x P:z P:x 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">56 72 88 25 72 75 88 51 73 82 62 67 58 94 60 75 60 51 59 82 80 71 72 66 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.197</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">381</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.23 6.13 5.91 3.89 3.27 3.00 2.72 2.56 2.56 2.18 2.16 1.77 1.66 1.56 1.53 1.52 1.50 1.43 1.35 1.34 1.33 1.28 1.27 1.27 1.21 1.15 1.14 1.13 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:z P:x P:z P:z P:y P:x P:z P:z P:z P:x P:z P:y P:x P:y P:y P:z P:x P:y P:y P:y P:z P:z P:x P:z P:z P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">95 79 94 90 63 76 99 78 83 67 82 80 71 40 82 93 63 75 89 66 73 76 79 78 83 62 92 63 94 98 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.194</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="29">6.88 4.70 4.11 3.51 3.21 3.13 2.12 1.91 1.81 1.76 1.72 1.67 1.64 1.57 1.55 1.55 1.47 1.44 1.43 1.37 1.33 1.22 1.22 1.19 1.17 1.15 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:y P:z P:y P:x P:z P:y P:y P:x P:x P:y P:z P:y P:z P:y P:z P:x P:x P:x P:x P:y P:y P:z P:y P:y P:x P:x 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">40 25 49 35 36 51 32 27 79 88 40 48 26 32 23 46 81 55 62 40 55 48 56 65 45 45 49 58 96</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">-7.190</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="26">7.87 7.40 4.73 3.65 3.15 2.88 2.85 2.44 2.09 1.75 1.75 1.68 1.67 1.63 1.52 1.48 1.42 1.41 1.40 1.36 1.36 1.32 1.24 1.14 1.12 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 P:x P:y P:y P:x P:z P:y P:x P:z P:z P:z P:x P:x P:y P:x P:x P:z P:y P:z P:y P:y P:x 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">55 40 31 23 65 67 56 93 96 32 52 98 49 90 32 62 81 65 27 27 88 31 65 25 77 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">384</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.74 4.17 4.17 4.02 3.96 3.52 3.06 2.24 2.23 2.22 2.16 2.12 2.07 2.01 1.85 1.84 1.61 1.51 1.50 1.41 1.40 1.34 1.29 1.26 1.18 1.13 1.12 1.06 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">P:y P:y P:x P:z P:y P:x P:z P:z P:z P:y P:y P:x P:z P:z P:z P:x P:y P:y P:y P:x P:z P:z P:z P:x P:y P:y P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">23 77 49 52 35 81 55 49 77 28 32 87 50 24 40 45 31 29 86 36 31 33 27 77 27 40 42 25 48 54</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">-7.177</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="30">7.21 6.52 6.09 4.92 3.71 3.69 3.20 3.17 3.05 2.93 2.88 2.71 2.66 2.22 2.02 1.94 1.92 1.87 1.80 1.75 1.74 1.64 1.57 1.51 1.45 1.41 1.38 1.22 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:x P:x P:y P:z P:x P:x P:z P:z P:y P:z P:x P:z P:y P:y P:y P:y P:z P:z P:x P:y P:z P:x 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">67 99 68 82 78 92 92 79 71 88 90 95 90 61 61 75 78 59 56 75 92 82 65 68 25 58 79 66 56 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.167</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="30">6.82 5.57 5.13 4.21 3.79 3.71 3.33 3.04 2.60 2.38 2.32 2.31 2.17 2.04 2.02 1.93 1.91 1.81 1.79 1.78 1.62 1.54 1.53 1.44 1.39 1.39 1.35 1.33 1.13 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:x P:z P:y P:x P:z P:y P:z P:x P:y P:y P:z P:z P:y P:x P:x P:z P:y P:x P:y P:z P:y P:y P:z P:z P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">47 32 43 28 28 23 50 40 46 28 77 39 39 40 24 49 30 86 48 81 31 57 42 30 52 87 30 34 54 31</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">-7.159</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.64 6.11 4.95 2.87 2.32 2.23 2.14 2.12 2.07 2.06 1.97 1.91 1.89 1.75 1.53 1.47 1.46 1.35 1.30 1.24 1.18 1.13 1.13 1.09 1.08 1.08 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:y P:z P:x P:y P:x P:z P:x P:z P:y P:z P:x P:x P:x P:x P:x P:z P:y P:x P:z P:x P:x P:z P:x P:x 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">90 79 93 32 55 31 69 98 101 69 98 94 25 56 60 93 99 82 40 31 48 79 101 63 63 25 73 75 68</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">-7.152</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="24">8.98 7.86 5.95 5.93 5.12 4.73 4.50 4.44 4.18 3.26 3.23 2.50 1.81 1.67 1.62 1.56 1.49 1.41 1.40 1.38 1.34 1.22 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:z P:x P:x P:x P:y P:z P:z P:z P:y P:y P:x P:y P:z P:z P:x P:z P:x P:x P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">33 45 33 54 48 87 86 52 41 54 54 35 45 41 39 49 47 85 97 81 37 77 33 23</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">-7.143</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="27">9.82 3.78 3.37 3.35 3.15 2.94 2.76 2.58 2.45 2.11 2.05 1.88 1.74 1.72 1.69 1.61 1.40 1.30 1.21 1.14 1.13 1.12 1.06 1.02 1.02 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:y P:y P:z P:y P:y P:y P:x P:y P:x P:z P:x P:y P:x P:z P:y P:z P:z P:z P:z P:z 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">31 29 53 32 55 31 69 41 50 35 43 90 64 86 39 80 99 33 34 48 54 32 88 39 87 68 79</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">-7.137</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="26">7.94 5.58 4.99 4.51 4.45 4.16 4.04 3.04 2.28 2.14 2.04 1.92 1.79 1.73 1.69 1.51 1.34 1.29 1.26 1.17 1.17 1.17 1.15 1.09 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:z P:x P:y P:x P:z P:x P:z P:z P:z P:y P:z P:y P:y P:x P:y P:y P:y P:z P:x P:x P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">86 87 45 54 33 48 54 31 81 33 38 43 28 87 54 45 27 24 38 27 43 38 36 32 32 23</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">-7.129</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="23">12.21 9.45 7.82 7.76 7.09 5.26 2.98 2.50 2.40 2.40 2.32 1.86 1.79 1.75 1.69 1.57 1.55 1.38 1.37 1.36 1.23 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">P:z P:x P:z P:y P:y P:x P:y P:x P:z P:y P:x P:z P:x P:y P:z P:y P:y P:x P:z P:x P:x 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">101 89 91 69 89 91 101 90 25 75 82 90 73 93 93 73 79 64 79 25 70 80 99</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">-7.124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">392</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.15 7.99 4.87 4.24 3.74 3.48 3.10 2.80 2.49 2.11 1.96 1.72 1.62 1.51 1.48 1.46 1.40 1.30 1.26 1.22 1.20 1.16 1.15 1.14 1.13 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z P:z P:y P:y P:z P:z P:x P:y P:y P:y P:y P:z P:y P:z P:z P:x P:y P:y P:z P:x P:y P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">89 101 80 69 79 79 90 64 92 94 95 90 68 66 63 67 29 99 88 66 40 101 76 95 31 60 39</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">-7.118</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">393</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.68 7.32 5.20 5.07 4.99 4.59 4.50 4.47 4.36 3.29 2.68 2.64 2.34 2.29 2.23 2.17 1.89 1.66 1.52 1.40 1.39 1.23 1.22 1.15 1.13 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:y P:y P:z P:z P:x P:x P:z P:x P:z P:x P:z P:x P:y P:x P:z P:y P:z P:x P:z P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">69 80 79 25 98 91 80 73 98 98 91 73 89 101 83 59 59 90 76 75 64 60 78 93 60 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">394</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">16.78 10.85 9.62 5.58 5.43 4.72 4.19 3.78 2.55 2.44 2.42 2.36 2.02 1.43 1.22 1.19 1.19 1.16 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">P:y P:x P:z P:x P:y P:y P:z P:y P:z P:z P:z P:y P:x P:z P:x P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">59 80 56 59 93 78 82 73 98 91 93 25 90 59 92 92 69 98 73 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">-7.091</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="16">24.17 9.31 8.65 6.22 4.04 3.82 3.69 3.60 3.44 3.24 1.80 1.39 1.29 1.18 1.13 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:x P:y P:y P:x P:y P:y P:y P:x P:x P:z P:z P:y P:z 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">26 45 49 41 35 26 47 45 77 50 45 57 33 23 48 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">-7.080</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="18">17.04 9.50 7.98 7.91 6.25 5.72 3.10 2.47 2.39 2.33 2.22 1.83 1.51 1.44 1.11 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:x P:y P:x P:z P:z P:z P:y P:z P:z P:x P:z P:x P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">57 57 86 23 86 41 52 57 50 28 86 38 47 54 34 29 28 43</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">-6.940</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">7.54 7.37 5.48 5.35 4.81 4.24 3.95 3.76 3.48 3.31 3.26 3.12 2.96 2.52 2.51 2.49 2.25 1.78 1.61 1.33 1.29 1.16 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:y P:y P:x P:z P:z P:z P:x P:x P:z P:x P:x P:y P:y P:z P:y P:z P:z P:x P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">24 52 33 46 35 42 96 54 37 53 30 96 34 44 36 85 53 33 34 97 27 37 24 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.920</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">12.13 7.27 7.11 6.91 6.61 4.80 4.51 4.00 2.70 2.26 2.21 2.04 2.01 1.79 1.74 1.57 1.56 1.49 1.45 1.44 1.19 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:y P:z P:y P:x P:x P:y P:x P:z P:y P:y P:z P:x P:z P:z P:z P:y P:z P:y P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">30 36 42 24 35 52 46 96 96 97 35 85 36 54 24 36 44 32 30 53 87 37 34</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">-6.881</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="22">9.57 7.92 7.00 5.66 5.19 4.78 4.62 4.28 3.66 3.46 3.19 2.37 2.32 2.29 2.09 2.03 1.79 1.46 1.39 1.16 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:y P:y P:x P:z P:z P:x P:z P:z P:y P:z P:z P:x P:y P:z P:z P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">61 72 92 91 60 64 92 62 61 59 59 60 63 64 64 72 80 91 89 70 84 67</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">-6.865</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="23">9.78 9.42 8.67 6.71 5.05 4.31 3.99 3.91 3.80 3.72 3.17 2.69 2.47 2.38 2.31 2.25 2.04 1.72 1.71 1.69 1.33 1.31 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:x P:z P:x P:x P:y P:z P:z P:x P:y P:z P:z P:y P:x P:x P:x P:x P:z P:x P:z 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">44 34 85 52 53 46 54 97 35 97 42 37 37 30 33 24 54 30 37 53 33 36 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.854</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="20">9.95 8.27 6.33 6.18 5.49 5.14 4.80 4.36 4.00 3.61 3.29 3.00 1.93 1.83 1.77 1.58 1.42 1.38 1.19 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x P:z P:x P:x P:y P:z P:y P:y P:x 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">51 58 84 70 98 63 101 72 68 58 65 60 71 99 76 91 62 70 65 71</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">-6.824</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">402</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.44 6.80 6.62 6.62 5.96 5.40 5.30 4.40 3.51 3.26 3.21 2.82 2.80 2.44 2.03 2.02 2.00 1.82 1.36 1.28 1.22 1.13 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:x P:z P:x P:z P:z P:y P:z P:x P:z P:y P:y P:y P:x P:z P:z P:z P:y P:z P:x P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">94 93 71 83 83 71 93 70 63 69 98 58 83 71 93 94 68 76 76 70 99 65 70 84 101</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">-6.797</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="30">8.62 7.62 6.19 5.69 5.57 5.09 4.74 3.68 3.34 3.17 2.97 2.74 2.72 2.68 2.46 2.23 1.99 1.92 1.66 1.59 1.52 1.52 1.42 1.39 1.26 1.20 1.16 1.10 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:x P:x P:z P:x P:z P:z P:x P:x P:x P:y P:x P:y P:x P:z P:z P:z P:x P:y P:z P:z P:z P:z P:z P:y P:y P:y P:x 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">101 60 62 68 64 63 62 69 72 94 76 64 84 83 93 98 99 62 71 70 91 94 76 98 70 93 91 59 65 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.791</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="15">14.06 10.31 10.03 8.46 6.98 6.73 5.27 3.09 2.54 2.40 1.90 1.88 1.84 1.22 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:y P:x P:z P:y P:x P:x P:y P:z P:x P:z P:x P:z 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">65 51 99 76 84 68 69 99 98 58 94 101 99 71 63</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">-6.780</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="27">10.37 8.07 7.48 5.74 4.86 4.33 3.75 3.19 2.93 2.91 2.86 2.73 2.38 2.13 2.12 2.07 1.93 1.79 1.73 1.64 1.60 1.58 1.53 1.48 1.42 1.15 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z P:y P:z P:y P:y P:y P:x P:x P:x P:z P:x P:y P:x P:x P:x P:y P:x P:x P:y P:z P:z P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">31 29 31 29 28 97 77 31 27 29 53 37 85 44 26 34 77 36 35 38 30 54 24 44 96 33 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">-6.735</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="30">10.06 8.53 7.75 6.74 6.04 5.89 3.98 2.99 2.82 2.66 2.43 2.39 2.12 2.12 2.03 1.86 1.83 1.76 1.74 1.64 1.62 1.38 1.34 1.26 1.25 1.15 1.11 1.11 1.10 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:z P:x P:x P:y P:z P:z P:z P:x P:x P:y P:y P:y P:y P:z P:z P:x P:y P:x P:y P:y P:x P:z P:z P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">91 59 69 101 61 92 63 94 59 99 94 70 98 63 93 83 92 60 68 59 84 76 76 60 58 101 62 64 92 71</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">-6.709</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="21">13.24 12.10 10.73 6.60 5.89 4.46 3.81 3.03 2.67 2.47 2.28 2.11 1.99 1.75 1.60 1.21 1.19 1.18 1.18 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:z P:x P:x P:z P:z P:y P:y P:x P:y P:x P:y P:z P:z P:x P:x P:x P:x P:x P:z P: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">26 77 38 27 27 33 77 33 34 44 29 26 37 38 53 31 44 77 28 24 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 O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.698</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">408</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">15.51 14.64 6.33 5.45 4.40 4.25 4.19 3.99 3.97 2.64 2.63 2.12 2.08 2.03 2.00 1.77 1.62 1.44 1.26 1.14 1.13 1.12 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:x P:y P:x P:z P:x P:x P:z P:y P:y P:y P:z P:x P:y P:z P:z P:y P:x P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">57 28 38 54 53 54 27 34 28 97 53 33 57 85 27 33 29 30 35 31 85 34 26 77</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">-6.522</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="31">9.90 9.64 7.55 4.77 4.49 4.01 3.43 3.01 2.83 2.82 2.79 2.46 2.46 2.44 2.42 2.32 2.04 1.87 1.87 1.58 1.58 1.52 1.43 1.43 1.35 1.24 1.17 1.05 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:y P:z P:x P:y P:x P:x P:z P:z P:z P:y P:z P:y P:x P:y P:y P:y P:z P:z P:x P:x P:z P:z P:y P:x P:z P:y P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">60 91 59 62 61 72 68 64 92 62 84 60 59 101 92 51 94 83 93 69 99 76 98 64 59 61 93 83 63 65 71</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">-6.519</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="19">13.39 11.79 10.10 8.77 7.13 5.06 4.92 3.80 3.36 3.05 2.74 2.49 2.42 2.03 1.97 1.85 1.34 1.29 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:z P:x P:z P:z P:x P:y P:x P:x P:x P:x P:y P:x P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">44 97 85 37 37 54 34 33 97 52 35 53 53 85 30 24 46 42 33</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">-6.492</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="24">12.66 10.71 6.82 6.69 6.06 5.73 4.64 4.60 3.85 3.67 3.60 3.24 2.95 2.36 2.31 2.22 2.00 1.85 1.85 1.44 1.41 1.09 1.09 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:y P:x P:z P:x P:z P:y P:x P:z P:x P:x P:z P:y P:z P:y P:x P:y P:x P:x P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">76 84 70 69 63 101 83 94 99 98 83 68 65 51 93 58 70 93 71 58 98 99 76 94</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">-6.449</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="29">8.42 7.57 7.13 5.64 5.62 5.57 5.11 4.39 2.90 2.61 2.56 2.34 2.08 2.00 1.91 1.91 1.88 1.85 1.83 1.75 1.53 1.32 1.27 1.27 1.20 1.17 1.14 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:x P:z P:x P:y P:x P:z P:z P:z P:z P:y P:z P:x P:x P:y P:x P:z P:y P:y P:z P:z P:y P:x P:y P:z P:x P:x 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">57 38 26 27 28 29 77 29 28 27 77 31 31 34 44 26 57 97 29 54 85 26 53 33 30 37 35 31 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.485</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="15">19.59 11.55 9.15 6.53 6.11 6.02 4.69 3.43 2.29 2.28 1.93 1.89 1.79 1.51 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">D:z2 D:xy D:xy D:z2 D:xz P:z P:x D:xz P:y P:z P:x P:x P:x P:y 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 -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="15">1.00 1.00 1.00 1.00 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="15">105 105 104 104 104 51 58 105 65 46 71 36 88 42 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc 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">-5.395</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">22.72 7.92 6.71 6.22 4.78 4.34 4.10 2.93 2.84 2.79 2.77 1.96 1.93 1.88 1.68 1.34 1.24 1.15 1.11 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">D:x2-y2 D:xy D:yz D:z2 P:y D:xz P:x P:z D:xz P:x D:yz P:y P:z D:z2 P:x P:x D:x2-y2 P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -6.681 -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="21">1.00 1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.00 1.33 1.00 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="21">105 104 105 105 65 104 71 51 105 58 104 42 46 104 67 36 104 96 65 71 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc Tc Tc O Tc O O Tc O Tc 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">-5.127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">415</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">25.42 9.02 9.01 5.54 5.48 4.48 4.35 4.10 3.49 2.97 2.17 1.70 1.33 1.33 1.11 1.09 1.07 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:yz D:x2-y2 D:xy P:y P:y P:z P:z P:x D:xz P:z P:x P:x D:xy P:y P:x D:z2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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="18">1.00 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.00 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="18">105 105 105 51 58 65 71 72 105 62 71 65 15 62 58 13 62 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc Tc O O O O O Tc 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">-4.845</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">416</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">23.11 10.66 8.79 6.59 3.87 2.82 2.68 2.37 2.33 2.07 1.46 1.45 1.19 1.15 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:yz D:x2-y2 D:yz D:z2 P:y P:x D:x2-y2 P:z D:z2 D:xy P:x P:z P:y D:xy P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.00 1.00 1.33 1.33 1.33 1.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">104 104 105 104 40 40 105 40 105 104 36 46 65 105 96 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc Tc O O Tc O Tc Tc O O O Tc O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.798</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">26.51 14.79 5.38 4.69 4.30 3.35 2.55 2.12 1.93 1.85 1.61 1.42 1.38 1.16 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:yz D:xy D:z2 D:x2-y2 P:x P:y P:z D:xy D:yz D:xz P:y P:x D:z2 P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.00 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">104 104 104 104 27 46 42 22 105 5 36 42 20 31 3 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc Tc O O O W Tc W O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.489</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">418</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">16.63 13.43 11.13 11.04 8.30 8.06 6.72 2.22 1.25 1.15 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:xy P:y D:z2 P:z D:z2 D:xz D:xy D:xz P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -9.089 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">1.00 1.33 1.00 1.33 1.00 1.00 1.00 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">104 40 104 40 105 104 105 105 46 42 51 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc O Tc O Tc Tc Tc Tc O O O O</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">419</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">11.31 9.43 5.64 5.52 4.86 3.37 2.94 2.67 2.60 2.22 2.16 2.13 2.04 1.97 1.90 1.85 1.84 1.72 1.69 1.55 1.52 1.36 1.31 1.31 1.13 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:z2 D:xz D:yz D:z2 D:xy P:y P:z D:x2-y2 D:xz D:xy P:z D:x2-y2 D:xy P:x P:x D:z2 D:z2 P:y D:yz D:xz P:z P:z P:y D:x2-y2 D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 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="27">15 9 10 14 14 11 51 63 10 16 9 65 14 10 99 68 10 13 94 10 15 94 83 70 9 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W O O W W W O W W O 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">-3.646</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">6.74 6.31 6.09 4.10 3.74 3.65 3.60 3.33 2.79 2.65 2.42 2.41 2.18 2.15 2.09 2.03 2.00 1.92 1.92 1.81 1.68 1.61 1.61 1.34 1.18 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:z2 D:xy D:xz D:z2 D:yz D:z2 D:xz D:x2-y2 D:z2 D:xy D:z2 P:x P:y D:yz D:yz D:xy P:y P:z D:x2-y2 D:xz P:z P:x D:xz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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 -9.089 -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 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 2 4 5 20 3 3 21 19 5 2 19 34 46 19 20 20 36 42 21 4 96 53 19 21 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W O O W W W O O W W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.576</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="23">9.03 6.07 4.17 3.75 2.67 2.61 2.32 2.10 2.09 2.08 1.98 1.93 1.77 1.74 1.72 1.59 1.52 1.49 1.41 1.15 1.10 1.07 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:xz D:xz D:xy D:xz P:x D:xz D:xz D:xy D:yz D:z2 D:xy D:x2-y2 D:xy D:z2 P:y P:z P:x D:yz P:x P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.00 1.33 1.00 0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 12 7 7 105 60 104 16 17 105 9 12 105 11 16 70 64 99 14 68 84 61 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Tc O Tc W W Tc W W Tc W W O O O W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.530</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.14 5.83 3.16 3.08 3.05 2.90 2.75 2.68 2.48 2.31 1.99 1.78 1.62 1.60 1.56 1.54 1.45 1.39 1.35 1.34 1.22 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xz D:yz D:xy D:xz D:yz D:xy D:xy D:yz P:x D:x2-y2 D:x2-y2 D:xz P:x P:x D:z2 D:z2 D:yz D:z2 P:z D:xz 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 -6.681 -9.089 -4.492 -4.492 -4.492 -9.089 -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="23">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 1.33 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="23">6 1 17 18 18 6 4 1 104 38 6 18 16 35 52 9 6 19 2 29 7 28 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W Tc O W W W O 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">-3.524</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="25">9.27 9.01 4.02 3.94 3.85 3.78 3.75 3.75 3.57 3.20 3.05 3.02 2.62 2.52 2.50 2.37 1.94 1.44 1.35 1.25 1.25 1.23 1.20 1.17 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:xy D:xz D:yz P:x D:x2-y2 P:x D:xy D:yz D:z2 D:xz P:y P:z D:z2 D:xz P:x P:x P:z D:z2 P:y D:x2-y2 D:xy P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 11 16 8 101 8 69 13 14 9 12 58 71 14 8 68 71 83 8 61 14 12 99 76 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O W O W W W W O O W W O 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">-3.477</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="24">9.68 6.96 5.73 5.65 5.54 4.40 4.29 3.09 3.03 2.94 2.90 2.59 2.36 1.96 1.89 1.82 1.73 1.66 1.61 1.58 1.48 1.25 1.23 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xz D:xy D:xz D:xz D:xy P:y P:z P:y D:xz D:xy P:z D:z2 P:y P:z P:z D:z2 D:x2-y2 P:z P:z P:y D:x2-y2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 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="24">11 12 15 7 16 7 91 59 61 10 12 92 16 51 76 93 9 10 65 98 84 7 14 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O O W W O W O O O W W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.446</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">425</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.50 6.92 6.30 5.63 4.39 4.03 3.90 3.72 3.57 3.32 2.71 2.24 2.02 1.92 1.89 1.70 1.60 1.57 1.42 1.35 1.27 1.22 1.13 1.11 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:xy D:xy D:xz D:xy D:x2-y2 P:y P:z D:xz D:xy P:y D:xz P:y P:z P:z D:x2-y2 D:z2 P:z D:z2 D:x2-y2 P:y P:y D:yz P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 4 18 18 22 18 28 77 21 1 57 5 46 42 26 21 5 30 21 1 44 24 21 24 52 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O W W O W O O O W W O W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.430</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="17">19.29 12.18 6.06 5.10 5.05 4.75 4.61 3.74 2.57 1.94 1.70 1.34 1.14 1.09 1.08 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:z2 D:xz P:z D:xz P:x D:x2-y2 D:xz P:x P:z P:z P:z D:xy D:xz S D:xz D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -6.493 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.00 1.00 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">17 17 84 11 70 17 14 89 66 70 74 17 105 102 12 104 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W O W O W W O O O O W Tc H W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.409</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="20">16.63 9.26 5.13 4.84 2.88 2.56 2.50 2.12 2.06 1.78 1.64 1.42 1.40 1.27 1.19 1.17 1.14 1.10 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:x2-y2 D:yz D:xy P:y D:xz D:xz D:x2-y2 P:x P:y D:xy D:z2 D:x2-y2 P:z D:x2-y2 P:x P:z D:z2 D:xz D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -6.681 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 1.33 1.00 1.00 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">6 6 6 85 105 104 2 81 37 21 6 21 44 17 37 45 17 6 17 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W O Tc Tc W O O W W W O W O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.397</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="17">13.61 8.22 5.64 3.13 2.63 2.49 2.33 2.15 2.12 1.95 1.93 1.62 1.60 1.45 1.20 1.06 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:yz D:xz D:xz D:yz D:x2-y2 D:xy D:x2-y2 P:y D:x2-y2 D:xy P:z D:yz D:x2-y2 P:z P:y D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -6.681 -6.681 -4.492 -6.681 -6.681 -4.492 -9.089 -4.492 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 1.00 1.00 0.80 1.00 1.00 0.80 1.33 0.80 1.00 1.33 1.00 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 105 104 17 104 105 6 40 17 104 40 105 105 37 85 21 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W Tc Tc W Tc Tc W O W Tc O Tc Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.298</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="31">9.47 4.76 4.63 3.25 3.15 3.14 3.03 2.91 2.82 2.71 2.45 2.28 2.27 2.15 2.12 2.02 1.84 1.83 1.78 1.71 1.66 1.60 1.55 1.54 1.42 1.36 1.33 1.17 1.16 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:z2 D:x2-y2 D:xy D:yz D:z2 D:xz D:z2 D:xy D:yz D:xy P:y P:x P:x D:xz P:y D:xz D:z2 D:yz P:x P:x D:x2-y2 P:z P:y D:xz P:z D:xy P:y P:x P:z D:yz 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 -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 -9.089 -9.089 -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="31">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 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">2 19 4 19 3 21 20 2 3 22 97 35 34 19 36 4 19 20 53 52 21 96 57 5 37 20 44 26 26 2 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W O O O W O W W W O O W O O 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">-3.240</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="16">25.84 9.81 7.43 7.25 5.22 5.14 4.44 3.11 2.91 2.51 2.39 1.96 1.69 1.60 1.12 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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xy D:x2-y2 P:y D:xy P:y D:yz P:x P:y P:x D:xy D:xz P:z D:x2-y2 P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 4.055 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">17 17 74 16 76 17 80 83 83 9 9 95 9 95 17 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W O W O W 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">-3.186</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="17">24.19 11.06 4.86 4.67 4.47 4.05 3.60 3.07 2.85 2.03 1.63 1.51 1.27 1.26 1.26 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:z2 D:xy D:xz P:z D:z2 P:z D:xz P:x P:x P:z P:y P:y D:xy P:x P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 6 6 100 19 44 4 43 97 86 100 85 4 100 97 2 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W O W O W O O O O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.113</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">6.67 6.32 3.38 3.22 2.46 2.06 1.83 1.68 1.66 1.64 1.50 1.47 1.46 1.26 1.25 1.19 1.19 1.05 1.05 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:xz D:xz D:xy D:xz D:xy D:z2 D:yz D:xz D:xy D:z2 D:x2-y2 D:xy D:x2-y2 P:x D:xz D:xy P:x P:x P:z P:y</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 -6.681 -4.492 -4.492 -4.492 -6.681 -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="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.00 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="22">17 6 12 7 15 1 7 20 104 18 12 6 104 6 6 72 10 18 69 38 63 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W Tc W W W Tc 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">-3.034</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="21">4.92 4.13 3.51 3.16 3.15 2.85 2.60 2.05 1.97 1.94 1.88 1.74 1.63 1.58 1.37 1.28 1.24 1.22 1.14 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:yz D:yz D:xz D:xz D:xz D:xz D:xz D:xy D:xy D:xy D:xz D:xy D:xy D:xy D:xy D:z2 D:yz D:x2-y2 P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 1.00 0.80 1.00 0.80 0.80 0.80 1.00 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 17 1 12 7 105 18 105 18 6 104 7 104 12 1 20 104 18 34 69 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W Tc W Tc W W Tc W Tc W W W Tc W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.023</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="30">7.57 4.76 3.87 3.71 3.48 2.56 2.53 2.50 2.39 2.32 2.24 2.20 2.04 1.96 1.94 1.90 1.76 1.65 1.60 1.35 1.30 1.28 1.26 1.24 1.16 1.07 1.05 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:xy D:yz D:yz D:z2 D:z2 D:z2 P:y D:xz D:x2-y2 D:x2-y2 D:xy P:z P:y D:x2-y2 D:xy D:x2-y2 D:xy D:xz P:z D:xy P:z P:y D:xz P:x P:z D:xy D:z2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -6.681 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -6.681 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.00 0.80 1.00 0.80 1.33 1.33 0.80 1.00 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">13 11 14 8 9 105 8 61 105 10 105 8 92 91 14 105 16 15 16 59 9 71 58 14 71 76 13 16 63 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W Tc W O Tc W Tc W O O W Tc W W W O W O O W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.939</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="29">5.41 5.03 5.01 4.95 3.83 3.61 3.54 3.12 3.08 2.96 2.81 2.50 1.93 1.93 1.85 1.79 1.47 1.46 1.38 1.35 1.31 1.29 1.28 1.26 1.21 1.12 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:z2 D:xz D:xy D:x2-y2 D:yz D:xz D:z2 D:x2-y2 D:xy D:yz D:xz D:yz D:yz D:z2 P:y P:z P:y D:z2 D:yz D:z2 D:z2 P:y P:x D:xz P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">22 104 22 4 104 3 21 5 5 5 20 104 2 19 20 46 26 28 2 5 3 21 57 49 5 36 23 42 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W Tc W W Tc W W W W W W Tc W W W O O O W W W W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.885</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="24">10.72 8.70 5.75 3.91 3.64 3.57 3.42 3.37 3.36 3.12 2.59 2.23 1.96 1.83 1.70 1.31 1.29 1.28 1.25 1.15 1.14 1.13 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xz D:z2 D:xy D:yz D:xz D:x2-y2 P:x D:xy D:z2 D:xz P:x P:z P:x P:x P:y P:z D:x2-y2 D:z2 D:x2-y2 D:yz P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">15 10 9 11 14 14 14 72 9 13 16 60 64 68 99 51 63 8 10 17 17 65 64 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W O W W W O O O O O O W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.838</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">9.58 8.60 6.59 6.46 6.37 5.74 5.03 4.99 3.60 3.45 3.44 3.08 2.61 2.52 2.26 2.07 1.77 1.64 1.60 1.42 1.27 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:z2 D:z2 P:y D:yz D:yz D:z2 P:z P:z D:z2 P:y P:z D:yz D:yz P:z P:y D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">15 10 7 88 11 16 12 67 90 15 89 80 12 10 79 79 12 15 10 10 7 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W W W O O W O O W W O O W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.824</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="23">7.90 7.52 5.05 4.93 4.63 4.49 4.29 3.90 3.74 3.20 2.93 2.59 2.58 2.54 2.39 2.08 1.91 1.84 1.78 1.75 1.64 1.55 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xy D:xz P:x D:yz P:x D:xy D:xz P:y P:y D:yz P:z D:xy P:z D:xz D:x2-y2 P:x D:xz D:x2-y2 D:xy D:z2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -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 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 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">3 1 18 48 2 87 19 20 86 32 19 45 2 55 1 2 45 3 20 18 18 20 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W O W O W W O O W O W O W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.821</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="24">10.50 7.17 5.49 5.44 5.36 3.97 2.92 2.72 2.46 2.18 2.03 1.90 1.75 1.74 1.61 1.56 1.52 1.47 1.40 1.30 1.22 1.13 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:xy D:x2-y2 D:xy D:xz D:xz D:z2 D:xy D:z2 P:x D:z2 D:xz D:x2-y2 D:z2 P:x D:x2-y2 D:yz P:z P:z P:y P:y D:yz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -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="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 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="24">20 4 3 22 21 5 2 20 3 38 19 3 20 21 27 18 6 30 24 36 24 3 96 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W O W W W W 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">-2.802</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="21">7.85 7.01 5.18 4.73 4.57 4.40 4.27 4.23 3.84 3.74 3.64 3.60 3.16 3.12 3.08 2.85 2.67 2.62 2.23 1.92 1.56</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy P:x P:x D:x2-y2 D:xz P:y D:yz D:xz P:y D:yz D:xy D:x2-y2 D:x2-y2 D:xy P:z P:z D:xz D:x2-y2 P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -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 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">12 14 90 79 13 7 25 13 9 66 8 8 9 8 7 56 95 12 7 56 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W O O W W O W W O W W W W W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.801</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="23">8.45 7.06 6.73 6.55 4.31 4.29 4.26 3.91 3.64 3.47 3.40 3.26 3.10 3.04 2.83 2.21 2.09 2.07 1.63 1.44 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">D:yz D:yz D:z2 D:z2 P:y D:z2 D:yz P:y P:z P:z D:z2 D:yz P:y P:z D:x2-y2 P:y D:x2-y2 P:z D:xy D:x2-y2 D:yz D:yz 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 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -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 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">22 5 18 1 23 21 4 43 49 81 4 21 87 48 1 48 18 87 5 4 1 18 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O W W O O O W W O O W O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.762</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="33">5.12 4.29 3.00 2.73 2.67 2.61 2.53 2.51 2.30 2.14 2.14 2.13 2.13 2.02 2.00 1.54 1.52 1.50 1.40 1.38 1.37 1.33 1.33 1.32 1.28 1.24 1.20 1.18 1.17 1.15 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:x2-y2 D:xz D:z2 D:x2-y2 D:xz D:xz P:z D:xz D:yz D:z2 D:xy D:x2-y2 D:xz P:x D:xz D:z2 D:xy D:yz D:z2 D:xz D:xy D:x2-y2 D:x2-y2 P:z D:x2-y2 P:y D:yz P:z D:xz P:x P:x P:x D:xy</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 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">8 14 14 17 13 11 66 16 17 13 11 9 15 89 8 16 9 8 11 9 14 11 16 25 13 95 9 95 17 58 88 60 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W O W W W W W W O W W W W W W W W W O W O W O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.736</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.40 5.34 5.03 3.81 3.59 3.51 2.79 2.74 2.71 2.63 2.55 2.35 2.04 2.00 1.66 1.52 1.50 1.44 1.34 1.33 1.29 1.18 1.17 1.14 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:xy D:xz D:xz D:x2-y2 D:x2-y2 D:xy P:x D:yz D:xy P:x D:xz D:xz D:yz D:yz P:x P:z D:xz P:x D:xy D:x2-y2 P:z D:z2 P:y D:x2-y2 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 -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 -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 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">21 4 5 2 19 22 43 6 5 81 6 22 19 2 23 42 3 49 4 20 86 22 45 21 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O W W O W W W W O O 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">-2.563</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">9.62 6.01 4.55 4.29 3.57 3.18 3.10 3.00 2.91 2.63 2.52 2.29 1.59 1.38 1.37 1.36 1.36 1.33 1.32 1.31 1.28 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:yz P:y D:z2 P:z D:xy P:y D:x2-y2 D:x2-y2 D:z2 P:z P:x D:x2-y2 P:y D:xy D:xz D:yz D:yz D:xy D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -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="22">0.80 0.80 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 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">11 16 15 89 10 80 16 88 13 9 15 67 80 10 99 14 10 10 8 10 14 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W O W O W W W O O W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.546</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="21">9.07 7.46 5.45 4.60 4.59 4.54 4.32 3.64 3.15 2.96 2.49 2.47 2.06 1.67 1.66 1.46 1.46 1.37 1.33 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xz D:xy D:yz P:y D:yz P:z P:y P:z D:yz D:yz D:z2 D:xz D:yz D:yz D:x2-y2 P:z D:x2-y2 P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">3 20 19 20 32 2 55 86 45 19 22 2 4 3 5 21 30 3 24 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O W O O O W W W W W W W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.518</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">6.35 3.83 3.17 2.96 2.72 2.62 2.62 2.56 2.30 2.30 2.10 1.95 1.93 1.88 1.87 1.67 1.64 1.52 1.44 1.36 1.24 1.23 1.18 1.12 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xz D:xz D:xz D:yz D:xz D:xy P:y D:xz D:xy P:y P:z D:yz D:z2 P:z D:xz D:yz P:x D:xy D:z2 D:xy D:xy P:z P:x D:z2 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 -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 -4.492 -4.492 -9.089 -9.089 -4.492 -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 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 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">14 9 15 10 13 13 8 66 11 16 25 95 8 18 56 14 5 88 1 14 18 15 66 89 1 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O W W O O W W O W W O W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.514</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="19">8.59 5.11 5.03 4.48 3.07 3.05 2.49 2.31 2.14 2.12 2.08 1.98 1.71 1.53 1.48 1.47 1.36 1.27 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:z2 D:xy D:xy P:x P:x D:yz D:yz D:xz P:z P:z D:xy D:yz D:yz D:xz D:xz D:xy D:yz D:xy</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 -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="19">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">18 1 1 18 48 87 5 22 1 48 87 21 4 1 18 9 14 21 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W O 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">-2.486</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="28">5.42 5.04 4.88 4.23 3.83 3.72 3.37 3.36 2.80 2.62 2.56 2.24 2.17 2.01 2.01 1.77 1.38 1.35 1.32 1.31 1.29 1.25 1.11 1.07 1.02 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:xy D:xy D:xy D:xz D:xz P:y D:yz P:y D:z2 D:x2-y2 P:x D:z2 P:x D:yz D:z2 D:xz P:x P:z D:x2-y2 D:xy D:z2 D:x2-y2 D:x2-y2 P:y P:x P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -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 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 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 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">22 21 22 5 3 4 23 4 43 4 20 81 19 49 5 2 5 43 32 3 20 22 1 2 46 96 42 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O W O W W O W O W W W O O 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">-2.483</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="28">5.50 4.96 4.15 4.02 3.96 3.03 3.00 2.98 2.96 2.84 2.63 2.61 2.48 2.47 2.17 2.00 1.94 1.59 1.59 1.58 1.48 1.46 1.35 1.28 1.23 1.21 1.21 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:xz D:xz D:yz D:z2 D:yz D:xy P:y D:z2 D:xy D:x2-y2 D:z2 P:x P:x D:xy P:y P:x D:z2 D:z2 P:z D:yz D:x2-y2 D:xy D:x2-y2 P:y P:z 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 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">18 1 18 5 1 18 19 87 2 3 1 18 87 48 1 48 29 21 20 49 6 20 4 19 86 48 45 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O W W W W O O W O O W W O W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.472</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="20">12.39 6.93 6.35 5.91 5.85 3.84 3.80 2.70 2.26 2.08 2.07 1.82 1.68 1.40 1.33 1.24 1.21 1.19 1.13 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">D:xy D:xz P:x P:x D:xy D:xz D:z2 P:z D:yz D:x2-y2 D:xz D:yz D:xy P:z P:x D:x2-y2 P:x D:z2 D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -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="20">0.80 0.80 1.33 1.33 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 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">12 7 79 90 7 9 7 95 13 8 12 9 14 56 62 13 64 12 16 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W O O W W W O W W W W W O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.455</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">6.64 6.63 5.70 3.28 3.23 3.07 2.97 2.45 2.40 2.25 2.03 1.97 1.69 1.66 1.62 1.60 1.37 1.32 1.30 1.15 1.14 1.07 1.06 1.05 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:x2-y2 D:z2 D:yz D:xy D:yz P:z P:y D:xy P:z D:z2 D:yz D:xz D:yz D:xy P:y D:xz P:z D:x2-y2 D:x2-y2 P:x D:z2 P:x D:xz D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -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 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">12 7 7 11 10 12 90 79 16 79 10 15 12 16 12 90 7 60 12 13 90 16 79 15 11 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O O W O W W W W W O W O W W O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.397</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="31">7.17 6.30 4.64 3.20 2.84 2.53 2.09 2.07 1.91 1.84 1.80 1.73 1.71 1.42 1.40 1.36 1.34 1.32 1.32 1.32 1.26 1.19 1.18 1.17 1.15 1.14 1.13 1.09 1.08 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">D:yz D:z2 D:z2 D:z2 D:z2 D:yz D:yz D:xy D:xz D:z2 P:y D:xy P:y P:y D:xy P:z D:xy D:xy P:z P:z D:yz D:xz D:x2-y2 D:yz D:xz D:xy P:z D:yz D:z2 P:z 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 -4.492 -4.492 -4.492 -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 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">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 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">17 13 8 7 9 8 14 11 15 12 70 16 84 58 17 71 10 13 62 83 15 12 12 12 7 7 90 11 14 98 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W O W O O W O W W O O W W W W W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.373</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="25">6.63 6.46 6.06 5.79 5.21 4.25 2.86 2.52 2.52 2.51 2.42 2.18 2.17 2.07 1.95 1.88 1.77 1.39 1.33 1.29 1.29 1.15 1.13 1.10 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:x2-y2 D:xy D:yz D:yz D:x2-y2 D:xz D:z2 P:z D:xy P:y P:x P:y P:y D:yz P:y D:xy P:x P:z D:yz P:z D:xz P:y 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 -9.089 -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 -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 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 9 14 16 11 8 14 10 80 8 66 56 89 95 15 25 9 95 67 13 66 9 63 88 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W O W O O O O W 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">-2.347</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.15 5.37 5.14 4.94 3.45 3.40 2.98 2.73 2.71 2.57 2.50 2.48 2.36 2.27 2.20 2.16 1.81 1.56 1.53 1.20 1.17 1.17 1.16 1.14 1.12 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:x2-y2 D:yz D:z2 P:z D:z2 D:yz D:x2-y2 D:yz P:y P:z D:yz D:xz D:x2-y2 D:z2 P:y D:xy P:x D:xy D:xz P:z D:x2-y2 P:x D:xy D:xy D:xz 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 -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 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -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 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 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">22 20 5 21 81 4 21 2 4 43 49 2 3 21 19 23 2 45 3 4 34 4 55 4 19 18 55 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W O W W W W O O W W W W O W O W W O W O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.318</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="24">10.15 6.88 3.99 3.97 2.71 2.51 2.46 2.33 2.02 1.91 1.87 1.82 1.78 1.70 1.68 1.32 1.26 1.21 1.20 1.18 1.16 1.13 1.11 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">D:xz D:z2 D:xy D:xz P:z P:x P:z D:xy D:z2 D:xz P:z P:x D:xy D:x2-y2 D:xz P:x D:xz P:x P:y D:xz D:xz D:xy 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 -4.492 -9.089 -9.089 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -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 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.00 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">15 8 8 14 51 88 25 10 17 12 66 70 105 13 11 58 8 89 25 17 13 17 14 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W O O O W W W O O Tc W W O W O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.314</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="24">4.41 4.06 3.88 3.75 3.21 3.00 2.92 2.77 2.35 2.20 2.17 1.66 1.64 1.52 1.32 1.29 1.26 1.26 1.23 1.19 1.15 1.14 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">D:z2 D:yz D:xy D:z2 D:xy D:xz D:z2 D:xz D:xz D:xy P:y D:z2 D:yz D:yz D:xz P:z P:y D:x2-y2 D:xz P:x D:z2 P:x 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 -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 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 0.80 0.80 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="24">3 6 6 20 1 18 19 5 4 22 97 2 104 19 22 96 44 20 3 37 6 27 6 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W O W Tc W W 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">-2.272</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="14">5.78 5.51 3.75 3.44 3.14 2.03 1.92 1.80 1.71 1.65 1.54 1.22 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:x2-y2 P:x D:xz D:xz D:xy P:z D:z2 D:yz D:yz D:xz D:z2 D:xy P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -6.681 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.33 1.00 1.00 0.80 1.33 0.80 0.80 1.00 0.80 0.80 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">104 40 104 105 4 40 9 6 105 21 21 105 38 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc O Tc Tc W O W W Tc W W Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">458</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">11.77 4.48 3.57 3.08 3.07 2.73 2.22 2.16 2.01 1.93 1.59 1.56 1.37 1.33 1.28 1.27 1.23 1.19 1.18 1.17 1.16 1.14 1.11 1.09 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 P:x D:xz D:z2 D:x2-y2 D:xz D:xz D:yz D:x2-y2 D:xy P:x D:xy D:z2 D:xy D:z2 P:z D:xz P:y D:z2 D:x2-y2 D:xy D:z2 D:xz P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.00 1.33 0.80 1.33 0.80 1.00 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">5 49 20 20 20 21 22 5 2 22 42 21 6 3 104 96 15 96 3 104 6 8 6 23 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W O W W W W W W W W O W W W Tc O W O W Tc W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.234</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="20">7.59 5.02 4.64 2.89 2.44 2.09 2.09 1.97 1.45 1.45 1.39 1.18 1.17 1.15 1.15 1.13 1.10 1.07 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz D:z2 D:xy D:xy P:x D:xy D:xz D:yz D:x2-y2 D:z2 P:x D:z2 D:x2-y2 D:z2 D:xy P:z D:x2-y2 D:xz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">22 3 4 10 23 22 5 19 13 13 27 6 19 104 3 46 10 13 2 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W O W W W W W O W W Tc W O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.44 2.83 2.25 2.01 2.01 1.99 1.95 1.91 1.73 1.58 1.56 1.48 1.47 1.22 1.20 1.19 1.12 1.05 1.02 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">D:xy D:z2 D:x2-y2 D:z2 D:xz D:xz D:xz P:x D:x2-y2 P:y D:xy D:xz P:x D:xy D:z2 D:yz D:z2 P:z D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -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="20">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 0.80 0.80 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="20">10 13 13 3 12 13 15 67 104 65 22 22 40 12 8 17 14 56 10 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W O Tc O W 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">-2.190</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.98 5.69 5.08 4.60 3.71 3.34 3.08 2.90 2.58 2.18 2.18 2.11 1.99 1.78 1.48 1.40 1.40 1.40 1.37 1.17 1.11 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xz D:xy D:yz D:xz D:xy D:xy D:x2-y2 P:x P:z P:y D:z2 P:x D:x2-y2 P:x D:xz D:xy D:z2 P:y D:xy P:y P:z 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 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -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 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">11 7 15 8 12 12 7 8 68 98 91 14 101 13 99 8 17 10 61 16 58 63 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W O O O W O W O W W W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.170</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="21">3.92 3.46 2.86 2.73 2.64 2.19 1.96 1.76 1.71 1.71 1.61 1.53 1.52 1.33 1.22 1.20 1.12 1.11 1.11 1.11 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:xz D:xz D:z2 D:z2 D:xy D:xy P:x D:yz D:z2 P:z D:xz D:xz D:xz D:xz D:xz D:xy D:xy P:x D:x2-y2 D:x2-y2 D:z2</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 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 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="21">16 10 13 9 11 16 60 13 19 59 22 3 12 13 4 15 5 69 9 20 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W O W W O W W W W W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.151</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">4.38 3.11 2.14 2.08 1.80 1.69 1.69 1.68 1.63 1.51 1.51 1.30 1.29 1.25 1.23 1.21 1.18 1.16 1.15 1.13 1.10 1.09 1.07 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:xy D:xz D:xy D:xz D:xz D:xz D:xy D:xz D:xy D:xy D:z2 D:z2 D:xz D:x2-y2 D:z2 D:x2-y2 P:x D:xy P:x D:yz D:xz D:xy D:yz 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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 2 5 4 22 16 3 22 11 10 2 16 22 9 5 2 13 21 23 3 38 13 13 20 6 21 60</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 O 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">-2.083</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="31">6.24 5.61 4.52 4.02 3.10 2.92 2.67 2.51 2.45 2.38 2.28 2.24 2.04 2.02 1.92 1.86 1.84 1.61 1.60 1.59 1.42 1.38 1.37 1.24 1.09 1.07 1.07 1.05 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xz D:xy D:xy D:xz D:xz D:z2 D:z2 P:x P:x D:xy P:z D:xz D:xz D:x2-y2 D:z2 D:yz P:y D:xy D:xy P:x D:x2-y2 P:x D:x2-y2 D:xy D:x2-y2 P:z P:y P:z D:xy P:y 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 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -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 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">1 22 18 18 5 20 2 35 52 1 24 4 3 18 5 3 30 21 19 34 1 53 19 20 3 33 57 42 4 46 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W O O W O W W W W W O W W O W O 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">-1.985</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="21">6.73 6.00 4.70 4.53 3.85 3.36 2.99 2.76 2.57 2.45 1.68 1.66 1.44 1.41 1.37 1.37 1.28 1.25 1.18 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xy D:z2 D:xz D:x2-y2 D:xy D:xy D:xz P:x P:x P:y D:xz D:yz P:y D:yz D:xy D:xy P:y D:xz P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -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="21">0.80 0.80 1.00 1.00 1.00 1.00 0.80 0.80 1.33 1.33 1.33 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="21">11 16 105 105 105 105 15 8 89 80 51 16 13 71 16 7 13 65 17 58 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W Tc Tc Tc Tc W W O O O 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">-1.964</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">466</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.19 3.44 3.09 2.67 2.24 1.94 1.89 1.87 1.64 1.58 1.55 1.52 1.50 1.41 1.39 1.34 1.31 1.27 1.20 1.15 1.14 1.08 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:x2-y2 D:xz D:xz D:xz D:xy D:xy D:xy P:y D:x2-y2 P:x D:x2-y2 D:xz D:xy P:x D:xz D:xz D:z2 D:xz D:xy D:xz D:xy D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 20 15 10 20 6 20 21 77 104 96 17 17 5 100 5 3 3 12 10 11 17 4 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W O Tc O W W W O W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.939</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="21">6.85 5.84 5.30 4.26 3.27 2.83 2.57 2.34 1.70 1.69 1.69 1.63 1.55 1.54 1.30 1.21 1.21 1.20 1.17 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:x2-y2 D:x2-y2 D:xz D:xz D:z2 D:x2-y2 D:xz P:z P:z D:xy D:xz D:xy P:x D:xy P:x D:xz P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -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="21">1.00 0.80 1.00 1.00 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">104 2 104 104 3 19 19 2 36 86 20 19 22 37 6 97 5 46 96 45 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc W Tc Tc W W W W O O W W W O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.895</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="21">9.42 4.94 4.82 3.44 3.03 2.26 2.18 2.07 2.01 1.96 1.91 1.63 1.59 1.48 1.31 1.26 1.17 1.12 1.11 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:z2 D:xy D:z2 D:z2 P:x D:yz D:x2-y2 D:x2-y2 D:xz D:xz D:xy D:xy D:xy P:x P:y D:xy P:z P:z P:y D:xy</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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">15 9 10 8 14 88 17 14 13 17 7 11 14 17 67 70 12 61 51 92 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W O W W W W W W W W O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.876</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="19">2.88 2.86 2.47 2.23 2.20 2.09 2.01 1.95 1.89 1.84 1.58 1.48 1.44 1.31 1.24 1.17 1.14 1.10 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:xz D:xy D:xy D:z2 D:z2 D:xz D:xy D:xz D:x2-y2 D:x2-y2 D:xy D:xy D:yz P:y D:xz D:z2 D:z2 D:x2-y2 D:z2</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 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</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 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">22 21 6 20 19 10 5 4 21 20 15 4 4 77 21 2 18 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W W W W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.803</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="23">2.03 2.01 1.99 1.89 1.80 1.72 1.71 1.69 1.62 1.56 1.54 1.52 1.43 1.29 1.26 1.25 1.23 1.22 1.22 1.21 1.05 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x D:xz D:xz D:x2-y2 D:xy D:xz D:xy D:x2-y2 D:yz D:xy D:yz D:xz D:xz D:xz D:yz D:yz D:x2-y2 D:xy D:yz D:xz D:yz D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -4.492 -4.492 -6.681 -4.492 -6.681 -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 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 0.80 0.80 1.00 0.80 1.00 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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">40 10 18 104 8 104 15 1 5 4 2 21 13 105 22 19 3 19 6 20 17 7 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O W W Tc W Tc W W W W W W W Tc W W W W W W W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.734</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="23">8.24 7.13 6.49 3.94 3.63 3.62 3.17 3.11 2.79 2.40 2.30 2.12 2.06 2.01 1.70 1.44 1.42 1.38 1.21 1.13 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">D:xz D:xy D:x2-y2 D:xz P:y D:z2 D:xz P:z D:xz D:xy P:x P:z P:x P:x P:y P:x D:xy D:x2-y2 D:x2-y2 D:xz P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">4 21 20 3 77 3 20 28 6 3 43 32 81 36 55 96 10 3 21 15 44 85 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O W W O W W O O O O O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.729</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">4.48 4.31 2.93 2.78 2.46 2.34 2.27 2.04 1.89 1.65 1.58 1.42 1.39 1.34 1.31 1.31 1.31 1.30 1.24 1.21 1.13 1.11 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:xy D:yz D:xy D:z2 D:xy D:xy D:yz D:yz D:xz D:x2-y2 D:yz D:yz D:yz P:y P:x P:z D:xz P:y P:y D:xz P:z D:xy 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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">3 15 19 10 8 16 11 10 11 20 16 2 20 32 31 72 20 86 88 13 45 5 62 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W O O O W O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.704</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.70 9.74 5.41 3.56 3.50 3.46 3.15 2.88 2.39 2.24 2.09 1.94 1.50 1.48 1.44 1.43 1.37 1.27 1.23 1.17 1.14 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:xz D:xy D:xz P:x P:x D:x2-y2 D:xz D:z2 P:y P:x P:z P:z P:x D:xz P:x P:z D:xy P:x D:x2-y2 D:xy P:y P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -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 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 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 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 14 67 88 9 10 14 92 61 66 61 70 9 92 51 9 65 13 15 95 51 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W O O W W W O O O O O W O O W O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.678</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">6.06 4.75 3.16 2.73 2.44 2.33 2.30 2.25 2.18 2.17 2.08 1.74 1.68 1.67 1.64 1.58 1.51 1.39 1.38 1.35 1.20 1.16 1.10 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:yz D:yz D:z2 D:x2-y2 D:yz P:x P:x D:z2 D:xy D:x2-y2 P:y P:z D:xz D:xz D:xz D:xz D:z2 D:yz P:z P:y D:yz P:z P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.00 1.00 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">3 15 20 10 104 10 31 40 20 19 20 32 55 3 20 105 104 2 11 72 88 16 67 29 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W Tc W O O W W W O O W W Tc Tc W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.634</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="23">10.62 9.59 4.44 4.33 3.94 3.81 3.35 2.93 2.86 2.59 2.52 2.35 1.84 1.82 1.59 1.58 1.47 1.43 1.39 1.18 1.15 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 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:yz D:x2-y2 P:z D:yz P:z D:xy P:y D:z2 P:z D:xy P:y P:y P:y D:z2 P:z D:yz P:y D:z2 D:x2-y2 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 -9.089 -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 -9.089 4.055 -4.492 -4.492 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 18 22 2 34 4 52 1 35 4 48 18 53 43 23 19 87 5 87 1 1 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O W O W O W O W O O O W O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.625</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="26">8.71 8.18 4.82 4.11 3.93 3.68 2.60 2.58 2.55 2.27 2.14 1.85 1.84 1.80 1.66 1.52 1.51 1.45 1.21 1.21 1.15 1.10 1.06 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xz D:xz P:x P:x D:xz D:z2 D:xy P:y D:xz D:xy D:yz P:y D:yz D:x2-y2 D:z2 P:x D:x2-y2 P:z D:yz P:z D:yz D:xz 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 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">12 7 7 12 79 90 9 7 8 94 11 14 11 93 9 13 12 98 9 95 13 94 16 13 63 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W W W O W W W O W W W O W O W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.597</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">477</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.19 9.52 7.70 4.34 3.49 3.16 2.92 2.82 2.78 2.68 2.35 2.28 2.19 1.45 1.34 1.30 1.11 1.10 1.08 1.04 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:yz D:yz D:z2 P:z P:z P:y D:z2 P:y P:y D:xy P:z D:z2 D:yz P:y D:x2-y2 P:z P:y D:yz P:z D:xz 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 -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 4.055 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 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 0.00 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">21 4 5 22 21 81 38 53 4 38 43 21 49 19 2 27 21 34 81 21 43 19 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O O W O O W O W W O W O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.593</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">10.38 10.12 6.51 4.19 3.95 3.51 3.51 3.16 3.05 2.99 2.94 2.81 1.98 1.94 1.91 1.31 1.30 1.22 1.16 1.15 1.09 1.09 1.08 1.07 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 2 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:x2-y2 D:yz P:z P:z P:y P:y D:yz P:y P:z D:x2-y2 D:yz D:yz P:z D:z2 D:z2 D:xz P:y D:xz D:z2 D:xz D:z2 P:y D:xy D:xy</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 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 4.055 -4.492 4.055 -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 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.00 0.80 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">7 12 7 11 101 90 69 99 12 79 68 12 15 16 79 16 10 7 89 11 12 12 7 90 16 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O O O W O O W W W O W W 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">-1.577</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">6.80 6.72 6.18 5.55 3.87 3.20 3.06 3.03 2.91 2.49 2.36 2.25 2.20 1.93 1.91 1.81 1.71 1.69 1.64 1.53 1.50 1.30 1.23 1.22 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">D:xy D:xz D:xz D:x2-y2 P:x D:xy D:x2-y2 P:x D:x2-y2 P:x D:xy D:xz D:yz P:z P:x D:yz P:y D:xy P:y P:y D:z2 P:z P:y 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 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 18 1 18 48 19 1 87 20 54 3 3 18 24 30 2 33 18 87 24 1 33 30 2 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W O W W O W O W W W O O W O W O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.573</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="24">8.03 5.22 4.45 4.28 4.02 3.68 3.21 2.75 2.63 2.21 2.12 2.11 2.04 1.81 1.77 1.71 1.59 1.42 1.36 1.26 1.22 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:x2-y2 D:x2-y2 D:x2-y2 P:x D:yz P:y D:yz P:x D:x2-y2 D:xy D:xz D:xy D:yz P:z D:yz P:y D:yz D:z2 P:y D:yz D:xy P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -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 4.055 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">14 9 8 13 64 9 66 14 62 14 8 9 16 8 95 15 25 13 8 95 10 14 98 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W O W O W O W W W W W O W O W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.547</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">4.55 3.61 3.56 3.46 3.19 3.14 2.49 2.15 1.72 1.56 1.53 1.44 1.42 1.39 1.30 1.26 1.26 1.25 1.15 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:yz D:yz D:xz D:x2-y2 D:yz D:xy D:xy D:z2 D:z2 P:z P:y D:z2 D:z2 D:x2-y2 P:z P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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="20">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 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">11 16 11 16 13 2 15 8 5 19 16 80 59 8 10 17 91 89 80 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W 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">-1.506</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="24">7.40 3.70 3.62 2.67 2.55 2.46 1.92 1.84 1.76 1.73 1.71 1.62 1.59 1.58 1.45 1.43 1.39 1.38 1.35 1.30 1.29 1.18 1.09 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 2 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:xz D:yz D:yz D:yz D:xy P:x D:xy D:z2 D:xz D:x2-y2 D:xz P:x S D:x2-y2 D:z2 P:x D:xz P:x D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -5.688 -6.681 -4.492 -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 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 2.00 1.00 0.80 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">2 19 5 19 6 11 16 22 6 45 8 22 22 19 13 29 6 104 16 40 11 86 104 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W O W W W W W O W Tc W O W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.460</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="21">9.69 6.46 5.36 4.33 3.64 3.04 2.56 1.94 1.94 1.72 1.70 1.64 1.54 1.45 1.33 1.32 1.30 1.25 1.17 1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:x2-y2 S D:xy S P:x P:x P:x D:xy D:xz P:z D:x2-y2 S P:x P:z D:xz D:xy D:xy P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -5.688 -4.492 -6.493 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 2.471 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 2.00 0.80 1.00 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.00 1.33 1.33 0.80 0.80 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 4 6 6 6 103 100 44 43 5 3 44 21 103 85 100 17 21 4 28 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W H O O O W W O W H O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.445</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="20">7.43 3.94 3.77 2.96 2.93 2.68 2.37 2.33 1.98 1.93 1.56 1.50 1.49 1.48 1.45 1.32 1.30 1.26 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz D:x2-y2 D:xy D:xy S D:xz P:x D:z2 S D:xy D:xz D:x2-y2 P:x D:xz P:x P:y P:z P:y D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -9.089 -4.492 -6.493 -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="20">0.80 0.80 0.80 0.80 2.00 0.80 1.33 0.80 1.00 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="20">17 9 17 10 17 14 83 8 102 9 15 17 74 6 70 92 74 95 10 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W O W H 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">-1.425</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">4.17 3.49 2.92 2.85 2.57 2.03 1.98 1.85 1.83 1.78 1.66 1.57 1.43 1.41 1.39 1.18 1.15 1.15 1.10 1.09 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:z2 D:x2-y2 D:yz D:yz D:yz D:xy D:xy D:z2 D:xy S D:xy D:yz P:y D:x2-y2 D:xy D:xz P:z D:yz P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 12 13 11 15 10 17 8 16 7 17 19 16 69 17 9 12 101 9 83 62 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W O W W W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.398</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="25">5.45 3.03 2.91 2.44 1.92 1.85 1.79 1.67 1.66 1.56 1.38 1.32 1.20 1.18 1.18 1.17 1.15 1.10 1.08 1.08 1.07 1.06 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy D:xz D:xy D:yz D:xz D:xz D:yz D:yz D:xy D:xz P:y D:z2 D:z2 D:yz D:x2-y2 P:x D:yz D:z2 P:z P:x D:x2-y2 P:x P:x 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 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681</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 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.00 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">19 18 2 3 5 18 1 20 2 1 22 86 12 1 22 13 40 3 2 45 54 104 29 48 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W O W W W W O W W O O Tc O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.281</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="23">5.78 5.52 4.93 4.60 4.23 3.37 3.17 2.68 2.56 2.35 2.24 2.22 2.04 1.82 1.60 1.51 1.48 1.47 1.46 1.35 1.21 1.15 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">D:z2 D:xy D:z2 D:x2-y2 D:xz D:x2-y2 P:x D:xy D:xz P:y D:x2-y2 P:y D:xz P:x D:yz P:z P:x D:xy D:xz P:x D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -9.089 -6.681 -6.681 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 1.00 0.80 0.80 1.00 1.33 1.00 1.00 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">8 16 105 13 11 105 58 105 105 71 8 59 13 71 13 25 80 7 10 91 17 91 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W Tc W W Tc O Tc Tc O W O W O W O O W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.264</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="19">2.73 2.73 2.68 2.62 2.33 2.30 2.20 1.96 1.84 1.83 1.62 1.36 1.23 1.18 1.13 1.13 1.11 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:x2-y2 D:yz D:z2 D:yz D:z2 D:xz D:xz D:yz D:z2 D:x2-y2 D:xy D:x2-y2 P:x P:y D:xy D:x2-y2 D:yz D:z2</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 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</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 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">22 18 21 1 5 5 1 12 4 18 9 7 2 35 53 22 13 14 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W W W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.256</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="24">3.74 3.44 2.58 1.80 1.74 1.73 1.70 1.62 1.60 1.57 1.52 1.47 1.42 1.38 1.25 1.20 1.16 1.15 1.12 1.11 1.06 1.03 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:xz D:x2-y2 D:x2-y2 D:xy D:yz D:yz D:z2 D:yz D:x2-y2 D:z2 D:xy D:yz D:yz D:z2 D:z2 D:xz D:z2 P:z D:yz D:z2 D:x2-y2 P:x P:z 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 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">12 13 9 7 14 22 16 15 18 7 8 11 21 12 1 1 5 93 10 18 7 62 63 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.63 6.38 5.93 5.91 5.07 4.72 3.89 2.63 2.47 2.34 2.26 2.14 1.90 1.86 1.45 1.30 1.20 1.14 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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy D:xz D:x2-y2 D:z2 P:z P:y D:xz D:z2 D:x2-y2 P:y P:x P:z D:z2 D:yz P:x D:xz D:xz D:xy D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 4.055 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 1.00 1.00 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">5 22 104 104 46 42 104 19 2 26 23 57 22 5 49 19 2 20 5 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W Tc Tc O O Tc W W O O O W W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.759</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="10">30.88 30.60 4.85 4.77 -1.97 1.54 -1.18 1.17 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">2 2 3 3 2 1 2 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S D:xz S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-2.078 -2.078 0.215 0.215 0.790 0.031 0.790 0.031 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">108 109 108 109 105 109 104 108 10 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs Tc Cs Tc Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">492</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.51 3.27 2.39 2.39 2.37 2.33 2.16 1.86 1.48 1.47 1.39 1.39 1.37 1.31 1.30 1.28 1.26 1.20 1.16 1.11 1.09 1.04 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:yz D:yz D:z2 S D:yz D:xz D:xy D:yz D:x2-y2 D:z2 P:y D:xy S D:z2 D:x2-y2 D:yz D:z2 D:xy D:x2-y2 P:y D:x2-y2 D:yz D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -14.028 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -14.028 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 3.429</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 2.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 2.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">12 7 18 15 107 1 9 14 16 7 4 90 13 106 10 8 10 21 9 14 93 12 13 12 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W P W W W W W W O W P W W W W W W O W W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.473</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="19">4.49 4.37 2.75 2.46 2.41 2.16 2.16 1.92 1.84 1.77 1.68 1.34 1.33 1.33 1.25 1.23 1.23 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:yz D:z2 S S D:z2 S D:yz D:yz D:yz D:yz D:z2 P:y D:z2 D:xy P:z P:y S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -2.078 -2.078 -4.492 -14.028 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -14.028 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 1.00 1.00 0.80 2.00 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">1 18 4 108 109 21 106 22 12 7 5 15 48 5 20 87 35 107 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W Cs Cs W P W W W W W O W W O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.385</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">494</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.18 4.10 3.78 3.11 2.88 2.55 2.41 2.26 2.15 2.06 1.94 1.87 1.75 1.74 1.74 1.58 1.34 1.31 1.29 1.25 1.23 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:z2 D:z2 D:yz D:xy D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:xz D:yz D:xz D:z2 D:x2-y2 S D:xy D:yz D:yz D:z2 D:xy D:yz P:z 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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -2.078 -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="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 1.00 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="23">15 7 10 12 13 12 14 15 7 9 16 8 11 8 108 12 10 13 16 9 8 72 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W Cs 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">-0.374</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="24">8.41 8.00 3.48 3.28 3.10 3.02 2.76 2.54 2.54 2.47 2.04 1.73 1.60 1.36 1.35 1.24 1.15 1.15 1.07 1.07 1.07 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S D:z2 D:xy D:xz D:z2 D:xy D:x2-y2 D:xy D:x2-y2 D:yz P:x D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:yz D:xz P:x D:xz P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-2.078 -2.078 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">108 109 18 20 20 5 2 18 1 1 19 31 21 19 22 4 3 1 2 55 3 54 22 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs Cs W W W W W W W W W O W W W W W W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.362</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="6">24.35 23.28 1.29 1.25 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">2 2 1 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S D:x2-y2 D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-2.078 -2.078 -4.492 -4.492 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">1.00 1.00 0.80 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">109 108 3 1 20 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.336</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="17">12.71 11.98 11.73 11.41 5.29 3.77 2.94 2.30 2.08 1.86 1.72 1.56 1.46 1.42 -1.17 1.13 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 2 2 3 3 3 2 1 3 2 1 3 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S D:xz S S D:xz S P:x D:x2-y2 S D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.493 -5.688 2.471 1.232 1.232 1.232 -5.688 -4.492 1.232 -5.688 -4.492 1.232 -0.504 -4.492 24.654 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 2.00 0.00 0.00 0.00 0.00 2.00 0.80 0.00 2.00 0.80 0.00 0.00 0.80 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">102 17 102 17 14 9 14 14 16 9 17 11 17 11 74 13 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">H W H W W W 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">-0.306</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="16">14.16 13.01 12.39 12.11 5.30 4.47 2.60 2.12 1.98 1.75 1.47 -1.23 1.17 1.17 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 2 2 3 3 3 2 2 3 3 2 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S D:xz S P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.493 2.471 -5.688 1.232 1.232 1.232 -5.688 -5.688 1.232 1.232 -2.078 24.654 -4.492 -2.078 11.031 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 0.00 0.80 1.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">103 103 6 6 21 4 21 4 19 2 109 100 6 108 103 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">H H W W W W W W W W Cs O W Cs H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.273</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="23">5.11 3.63 3.55 3.51 3.38 3.02 3.00 2.78 2.63 2.39 1.96 1.94 1.88 1.87 1.87 1.76 1.45 1.27 1.12 1.11 1.10 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:z2 D:z2 S D:x2-y2 D:x2-y2 D:xz D:xy S D:xz P:x D:x2-y2 D:x2-y2 D:z2 D:x2-y2 P:x D:yz P:x P:x D:xy P:y D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -2.078 -4.492 -4.492 -4.492 -4.492 -2.078 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -0.504 -0.504 -6.681 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.00 0.00 1.00 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">9 14 17 108 16 17 14 17 109 17 66 9 14 11 11 95 9 14 9 105 65 10 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W Cs W W W W Cs W O W W W W O W W W Tc O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.211</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="22">5.29 4.95 4.24 4.14 3.50 2.56 2.55 2.51 2.47 2.39 2.39 2.08 2.01 1.86 1.66 1.56 1.42 1.41 1.29 1.24 1.21 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 2 2 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:x2-y2 D:z2 D:x2-y2 D:yz D:xy D:xz D:yz D:xz D:x2-y2 P:z D:yz D:z2 P:y D:yz P:z S S P:y D:x2-y2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -0.504 -2.078 -2.078 -9.089 -6.681 -0.504 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 1.33 0.80 0.00 1.00 1.00 1.33 1.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 21 4 6 21 2 19 4 6 4 43 2 104 81 1 4 108 109 96 104 21 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W O W Tc O W W Cs Cs O Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.061</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">9.88 8.60 7.70 7.29 6.69 6.10 5.59 4.65 2.64 2.46 2.37 -2.16 2.14 2.06 1.76 1.74 -1.69 1.53 1.40 1.39 1.39 -1.32 1.31 1.30 1.26 -1.07 -1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 2 3 2 3 2 2 3 3 2 2 3 2 3 2 2 2 2 3 3 1 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S S P:y S S P:z S S P:x S S S S S S S S P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 -5.688 1.232 -5.688 -5.688 1.232 1.232 -0.436 0.790 1.232 -0.436 1.232 -5.688 2.224 -5.688 -5.688 1.232 1.232 -5.054 -2.078 -2.078 -5.688 2.224 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 1.00 1.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">13 8 13 22 8 5 22 5 11 16 108 105 12 109 7 12 107 11 7 19 2 105 108 109 16 106 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W Cs Tc W Cs W W P W W W W Tc Cs Cs W P P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.043</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="37">-5.10 4.36 3.87 3.71 -3.52 3.36 3.35 3.17 3.17 -2.89 2.89 2.84 2.81 2.75 2.73 2.62 2.37 2.36 2.27 2.25 2.12 1.70 1.62 1.54 1.52 1.46 1.40 1.34 1.29 1.28 1.28 -1.25 1.12 1.08 1.07 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">2 3 3 3 2 3 2 2 2 1 3 2 3 2 1 2 2 2 3 2 3 2 3 3 2 3 3 3 2 3 2 1 2 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">S S S S S S S P:x S S S S S S S P:x S S S S S S S S S S S S S S S S S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">0.790 1.232 1.232 1.232 0.790 1.232 -5.688 -0.436 -5.688 -5.054 1.232 -5.688 1.232 -5.688 -6.493 -0.436 -5.688 -5.688 1.232 -5.688 1.232 2.471 1.232 1.232 -5.688 1.232 1.232 1.232 -5.688 1.232 -5.688 -5.054 -5.688 -4.492 -5.688 -6.493 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 1.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.80 2.00 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">104 22 18 5 105 1 22 109 18 104 12 5 7 1 103 108 12 6 2 7 19 103 9 11 2 15 10 16 19 14 17 105 15 15 10 102 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">Tc W W W Tc W W Cs W Tc W W W W H Cs W W W W W H W W W W W W W W W Tc W W W H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.061</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">6.60 5.20 3.43 3.35 3.25 3.20 3.09 3.02 2.71 2.62 2.24 2.23 -2.20 2.12 1.99 1.96 1.84 1.83 1.63 1.61 1.49 1.44 1.28 1.23 1.21 1.20 1.14 -1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 3 3 2 3 3 3 3 2 3 2 2 2 3 2 2 2 1 2 1 1 1 3 3 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 P:x S S S S S D:x2-y2 S D:x2-y2 D:x2-y2 D:yz S S S D:yz P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.054 -5.054 1.232 1.232 0.790 1.232 1.232 1.232 1.232 0.790 1.232 -5.688 2.224 -5.688 1.232 -5.688 -5.688 -5.688 -4.492 -5.688 -4.492 -4.492 -4.492 0.215 0.215 -5.688 -4.492 2.224 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80 0.80 0.00 0.00 2.00 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">104 105 13 4 104 21 8 14 9 105 22 4 107 21 5 13 14 8 15 9 10 22 20 108 109 22 3 106 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Tc Tc W W Tc W W W W Tc W W P W W W W W W W W W W Cs Cs W W P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.208</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="26">5.61 5.03 3.23 3.12 2.40 1.90 1.90 1.81 1.74 1.68 1.64 1.64 1.51 1.44 1.40 1.34 1.33 1.25 1.25 1.19 1.18 1.16 1.12 1.10 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 2 1 1 1 1 1 2 2 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 P:z P:z D:z2 D:xz D:xz D:z2 P:z D:x2-y2 P:z D:x2-y2 D:yz D:x2-y2 D:yz D:xz P:z P:x P:z P:x S D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -0.504 -4.492 -4.492 -4.492 -4.492 -4.492 -0.504 -0.436 -9.089 -9.089 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.00 1.33 1.33 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 15 11 16 14 70 89 8 8 16 17 88 15 11 10 13 14 8 11 15 108 58 66 8 14 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O O W W W W O W W W W W W W W Cs O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.247</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="14">3.44 2.56 2.33 2.26 2.23 2.10 1.93 1.86 1.84 1.74 1.42 1.32 1.30 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:xy D:xz D:z2 D:xy D:xy D:x2-y2 D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">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="14">13 2 9 11 20 9 3 15 20 1 1 14 14 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">0.250</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="23">5.05 4.73 2.38 2.10 2.06 1.97 1.95 1.66 1.62 1.59 1.56 1.49 1.47 1.42 1.31 1.27 1.20 1.19 1.18 1.16 1.12 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 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xz D:x2-y2 D:x2-y2 D:xy P:x D:xz D:x2-y2 D:xy D:xz D:x2-y2 P:x D:xy D:xz D:z2 D:xz D:xy P:x D:yz D:xy P:x D:yz 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 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -0.504 -4.492 -4.492 -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 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">14 8 3 15 13 66 9 8 9 13 1 25 8 14 20 19 2 14 1 14 93 18 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O W W W W W O W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.283</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">4.37 4.05 3.88 3.80 2.78 2.41 2.33 1.99 1.99 1.99 1.96 1.94 1.81 1.65 1.48 1.28 1.26 1.16 1.11 1.08 1.06 1.04 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 3 2 1 3 1 1 1 3 1 1 3 1 1 1 1 1 1 2 1 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S D:x2-y2 S D:x2-y2 D:yz D:x2-y2 S D:x2-y2 D:yz S D:yz D:yz D:yz D:yz D:xy D:x2-y2 S D:xy P:y S S P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -4.492 1.232 -4.492 -4.492 -4.492 1.232 -4.492 -4.492 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -9.089 1.232 -5.688 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 0.00 2.00 0.80 0.00 0.80 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 1.33 0.00 2.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 1 18 21 18 5 20 22 12 1 2 7 7 12 19 21 21 4 9 18 81 2 12 31 3</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 O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.289</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="25">4.62 3.58 3.46 3.14 2.54 2.21 1.93 1.83 1.74 1.69 1.57 1.51 1.49 1.46 1.42 1.39 1.27 1.26 1.24 1.14 1.07 1.05 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:yz D:yz D:yz D:z2 P:y P:z D:z2 D:xy D:yz D:yz P:z D:z2 D:yz D:z2 D:yz D:x2-y2 S S 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 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 1.232 1.232 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 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">4 5 22 16 10 11 10 4 3 21 80 43 14 9 16 9 23 16 21 15 14 9 19 11 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W O O W W W W O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.301</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.71 4.10 2.72 2.25 2.25 2.09 2.03 1.93 1.78 1.65 1.54 1.51 1.45 1.44 1.35 1.31 1.27 1.18 1.12 1.10 1.09 1.09 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 3 3 2 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 S D:yz D:z2 P:y P:y D:z2 P:y D:x2-y2 S S S D:x2-y2 S 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 -4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 1.232 1.232 -5.688 -4.492 1.232 -0.504</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 2.00 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.00 0.00 2.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">12 7 5 21 21 10 5 22 22 12 14 14 4 90 49 14 81 15 15 14 15 4 19 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W O O W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.317</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="20">4.95 4.58 3.50 2.57 2.43 2.37 2.18 1.95 1.86 1.63 1.59 1.57 1.39 1.29 1.16 1.16 1.11 1.06 1.06 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">D:yz D:yz D:x2-y2 D:z2 D:z2 D:x2-y2 D:z2 D:xy D:yz D:x2-y2 D:z2 D:z2 D:x2-y2 D:yz D:z2 D:yz P:y D:x2-y2 D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">9 7 16 22 11 10 4 9 12 12 5 15 11 4 21 13 80 9 13 92</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 O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.342</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="30">4.89 4.68 4.37 4.16 3.92 3.62 3.50 3.34 3.27 2.99 2.99 2.81 2.79 2.65 2.59 2.30 2.08 1.98 1.80 -1.65 -1.65 1.41 1.33 1.18 1.16 1.13 1.12 1.12 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 2 3 3 2 3 3 3 2 2 3 2 2 2 2 1 1 3 2 2 2 3 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S S S S S S S S D:xy D:xy S P:z P:z S S D:z2 S D:x2-y2 D:x2-y2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 1.232 -5.688 1.232 1.232 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 -4.492 -4.492 1.232 2.224 2.224 -5.688 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 0.00 0.00 0.00 2.00 0.00 0.80 2.00 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">7 18 7 11 19 11 14 1 12 12 19 4 18 4 1 14 2 20 22 106 107 22 8 21 8 21 12 19 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W W W W W W P P 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">0.349</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="30">6.11 4.73 4.64 4.33 4.21 3.75 3.48 3.31 3.22 3.06 2.84 2.60 2.51 2.27 2.11 -2.10 2.03 1.95 1.74 1.71 -1.70 1.55 1.46 1.37 1.36 1.31 1.26 1.09 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 2 3 3 1 2 2 3 2 1 3 3 3 2 1 2 3 2 3 2 2 1 2 1 2 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S D:x2-y2 S S S S D:xz S S S S D:xz P:y S S S S P:y D:x2-y2 S D:x2-y2 S S D:xz D:z2 D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 1.232 -4.492 -5.688 -5.688 1.232 -5.688 -4.492 1.232 1.232 1.232 -5.688 -4.492 2.224 1.232 -5.688 1.232 -5.688 2.224 -4.492 -5.688 -4.492 -5.688 1.232 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 2.00 0.00 0.00 0.80 2.00 2.00 0.00 2.00 0.80 0.00 0.00 0.00 2.00 0.80 0.00 0.00 2.00 0.00 2.00 0.00 0.80 2.00 0.80 2.00 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">2 2 9 16 4 16 9 21 21 19 12 1 7 12 2 107 13 7 5 13 106 19 5 3 1 10 3 3 21 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W W P W W W W P 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">0.369</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="19">10.04 9.79 2.36 2.35 2.24 1.93 1.91 1.61 1.59 1.56 1.46 1.44 1.37 1.34 1.26 1.22 1.18 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:yz D:z2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 P:z D:x2-y2 P:y D:yz D:yz D:z2 D:z2 P:y P:z D:xy D:xz D:xz</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 -9.089 -4.492 -9.089 -4.492 -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="19">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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">18 1 1 4 5 22 18 27 3 27 21 4 22 21 38 38 20 5 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W O W O W W W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.382</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="34">5.38 3.95 3.88 3.15 2.98 2.95 2.70 2.65 2.59 2.54 2.50 2.40 2.39 2.35 2.34 2.26 2.14 2.12 2.07 1.82 1.72 1.65 1.57 1.47 1.41 1.36 1.34 1.32 1.27 -1.25 1.22 1.22 1.13 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">3 2 1 3 3 1 1 2 2 3 3 3 3 2 2 1 2 3 2 2 3 3 1 3 1 3 2 2 1 2 3 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S D:xz S S D:xy D:x2-y2 S S S S S S S S D:xz S S S S S S P:x S D:x2-y2 S S S D:xy P:y S P:y S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">1.232 -5.688 -4.492 1.232 1.232 -4.492 -4.492 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 -4.492 -5.688 1.232 -5.688 -5.688 1.232 1.232 -9.089 1.232 -4.492 1.232 -5.688 -5.688 -4.492 2.224 1.232 -9.089 -5.688 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.00 2.00 0.80 0.00 0.00 0.80 0.80 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.80 2.00 0.00 2.00 2.00 0.00 0.00 1.33 0.00 0.80 0.00 2.00 2.00 0.80 0.00 0.00 1.33 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">16 16 19 11 9 2 19 20 3 19 14 20 3 19 9 2 11 4 14 22 22 15 86 10 3 21 4 15 20 107 13 45 10 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W W W W W W W W W W W W W W W O W W W W W W P W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.402</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">3.38 2.86 2.82 2.70 2.43 2.41 2.14 2.12 2.05 1.98 1.86 1.83 1.82 1.78 1.70 1.51 1.50 1.35 1.34 1.34 1.29 1.26 1.25 1.21 1.21 1.12 1.12 1.08 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 3 3 1 2 3 2 3 3 3 3 1 1 2 3 2 2 2 2 1 2 1 2 2 2 2 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:x2-y2 S S D:x2-y2 S S S S S S S D:xy D:z2 S S S S S S D:x2-y2 P:z D:z2 S S S P:y S D:x2-y2 D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 1.232 1.232 -4.492 -5.688 1.232 -5.688 1.232 1.232 1.232 1.232 -4.492 -4.492 -5.688 1.232 -5.688 -5.688 -5.688 -2.078 -4.492 -0.436 -4.492 -5.688 -5.688 -2.078 -0.436 1.232 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.00 0.00 0.80 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 2.00 0.00 2.00 2.00 2.00 1.00 0.80 0.00 0.80 2.00 2.00 1.00 0.00 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">12 11 8 7 11 7 5 12 2 5 18 13 7 18 13 8 7 12 108 1 108 15 2 1 109 109 1 14 12 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W W W W W W Cs 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">0.429</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="36">4.92 4.43 3.88 2.85 2.31 2.24 2.09 1.90 1.89 1.86 1.84 1.78 1.74 1.71 1.70 1.62 1.58 1.55 1.40 1.35 1.35 1.35 1.25 1.22 1.22 1.21 1.14 1.14 1.13 1.12 1.10 1.10 1.06 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 3 1 3 2 3 2 3 1 2 3 3 2 3 1 2 2 2 3 1 1 2 1 2 1 1 3 2 1 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">D:x2-y2 D:x2-y2 D:z2 D:yz S D:yz S S S S S D:z2 S S S S S D:z2 S S S S D:z2 D:yz S D:x2-y2 S P:y P:y S S D:yz S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 1.232 -4.492 1.232 -5.688 1.232 -5.688 1.232 -4.492 -5.688 1.232 1.232 -5.688 1.232 -4.492 -2.078 -5.688 -5.688 1.232 -4.492 -4.492 -5.688 -4.492 -5.688 -9.089 -9.089 1.232 -5.688 -4.492 1.232 -5.688 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.80 0.80 0.80 0.80 0.00 0.80 0.00 2.00 0.00 2.00 0.00 0.80 2.00 0.00 0.00 2.00 0.00 0.80 1.00 2.00 2.00 0.00 0.80 0.80 2.00 0.80 2.00 1.33 1.33 0.00 2.00 0.80 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">12 7 12 7 18 10 2 18 7 7 1 16 9 11 9 2 5 7 109 5 1 16 15 14 8 14 15 62 64 19 12 12 12 13 11 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W W W W W W W W W W W W W W W Cs W W W W W W W W O O W W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.446</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="29">5.81 3.79 3.41 3.09 2.68 2.35 2.34 2.24 2.24 2.14 2.07 2.03 1.98 1.75 1.56 1.51 1.44 1.36 1.36 1.34 1.30 1.30 1.28 1.20 1.12 1.05 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 3 1 1 3 2 1 3 1 3 2 3 3 1 2 2 1 2 2 1 1 3 1 1 1 2 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 S D:x2-y2 S S S D:z2 S D:yz S S S S D:x2-y2 P:y P:z P:z S S D:yz D:z2 S D:x2-y2 P:z D:yz S P:y S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 0.215 -4.492 -6.493 1.232 -5.688 -4.492 0.215 -4.492 1.232 2.471 1.232 1.232 -4.492 -0.436 -0.436 -9.089 -5.688 -5.688 -4.492 -4.492 1.232 -4.492 -9.089 -4.492 -5.688 -9.089 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.00 0.80 1.00 0.00 2.00 0.80 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.33 2.00 2.00 0.80 0.80 0.00 0.80 1.33 0.80 2.00 1.33 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">11 108 15 102 12 12 16 109 9 17 102 14 9 11 108 109 89 9 14 16 10 10 10 69 12 17 80 4 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W Cs W H W W W Cs W W H W W W Cs Cs O W W W W W W O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.482</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="20">10.43 9.02 8.97 8.40 7.84 6.87 6.77 5.74 2.95 2.77 -2.59 2.32 2.29 1.50 1.47 1.46 1.42 1.33 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">3 3 2 3 2 2 3 2 3 2 2 3 2 2 3 2 3 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S P:x S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 2.224 1.232 -5.688 -5.688 1.232 -5.688 1.232 1.232 -6.493 0.790</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">19 16 19 2 16 2 11 11 4 4 106 21 21 14 9 9 14 6 102 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W P W W W W W W W H Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.513</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="29">3.50 3.13 3.13 3.04 3.03 2.43 2.39 2.32 2.23 2.14 1.95 1.92 1.91 1.89 1.75 1.73 1.67 1.61 1.42 1.40 1.40 1.36 1.21 1.15 1.13 1.11 1.10 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 3 3 3 3 2 2 2 1 1 1 1 2 1 1 3 3 1 1 1 2 3 2 2 1 1 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S D:x2-y2 D:yz D:yz D:z2 P:y D:yz D:x2-y2 S S D:x2-y2 D:yz D:xy S S P:z P:x D:xz D:z2 S D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-6.493 1.232 1.232 0.215 0.215 -5.688 2.471 -5.688 -4.492 -4.492 -4.492 -4.492 -0.436 -4.492 -4.492 1.232 1.232 -4.492 -4.492 -4.492 -5.688 1.232 -0.436 -0.436 -4.492 0.031 1.232 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.80 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">103 1 18 108 109 18 103 1 4 1 3 4 108 18 21 10 20 19 20 21 10 6 109 109 2 109 4 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">H W W Cs Cs W H W W W W W Cs W W W W W W W W W Cs Cs W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.589</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="29">4.69 4.63 4.21 3.70 3.66 3.63 3.62 3.48 3.01 2.78 2.56 2.52 2.26 2.11 2.05 2.00 1.99 1.86 1.68 1.62 1.61 1.56 1.43 1.41 1.36 1.26 1.25 1.19 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 3 3 2 3 2 2 2 3 3 3 2 1 3 3 2 2 1 1 1 3 1 2 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S P:y S S S S S S S S S S S D:xz S S S S D:x2-y2 D:xz D:xz S D:z2 S D:yz D:x2-y2 D:z2 S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 -0.436 1.232 1.232 -5.688 1.232 -5.688 -5.688 -5.688 1.232 1.232 1.232 -5.688 -4.492 1.232 1.232 -5.688 -5.688 -4.492 0.031 -4.492 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 0.215 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 0.00 0.00 2.00 2.00 0.80 0.00 0.80 0.00 0.80 2.00 0.80 0.80 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">8 108 7 8 14 4 4 7 21 14 18 21 18 8 22 9 22 9 14 109 13 3 22 3 8 11 16 108 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W Cs W W W W W W W W W W W W W W W W W Cs 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">0.600</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">7.23 5.25 4.80 4.14 3.84 3.44 3.15 2.64 2.59 2.55 2.40 2.31 2.11 2.04 1.96 1.67 1.55 1.39 1.31 1.21 1.18 1.13 1.07 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 2 2 2 3 2 2 2 3 3 3 3 2 2 1 1 1 1 3 1 2 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z S S S P:y S S S S S S S S P:x S D:xy D:yz D:xy D:x2-y2 S D:yz S D:yz D:yz D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-0.436 1.232 -5.688 -5.688 -0.436 1.232 -5.688 -5.688 -5.688 1.232 1.232 1.232 1.232 -0.436 -5.688 -4.492 -4.492 0.031 -4.492 1.232 -4.492 -2.078 -4.492 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 0.80 0.00 0.80 0.00 0.80 1.00 0.80 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">109 12 12 9 108 9 13 5 21 21 13 5 1 109 1 13 7 108 11 20 13 109 3 20 5 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs W W W Cs W W W W W W W W Cs W 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">0.657</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="30">8.66 6.75 2.88 2.77 2.50 2.37 2.22 2.19 2.10 1.98 1.94 1.81 1.76 1.74 1.66 1.63 1.39 1.35 1.35 1.32 1.28 1.17 1.15 1.13 1.12 1.12 1.08 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 2 2 2 3 3 1 2 3 1 3 2 1 1 2 2 1 1 3 1 2 2 2 3 2 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S P:y S S S S S S S D:xz S S D:yz D:yz S S D:z2 D:x2-y2 S D:x2-y2 P:y P:x S S S D:xz S D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 1.232 -0.436 -5.688 -5.688 1.232 1.232 -6.493 -5.688 1.232 -4.492 1.232 -5.688 -4.492 -4.492 -5.688 -5.688 -4.492 -4.492 1.232 -4.492 -0.436 -0.436 2.471 1.232 -5.688 -4.492 1.232 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 0.00 2.00 2.00 0.00 0.00 1.00 2.00 0.00 0.80 0.00 2.00 0.80 0.80 2.00 2.00 0.80 0.80 0.00 0.80 0.00 0.00 0.00 0.00 2.00 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">4 4 108 19 9 19 9 102 3 3 8 10 16 13 8 10 22 16 5 12 11 109 109 102 16 5 16 22 13 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Cs W W W W H W W W W W W W W W W W W W Cs Cs H W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.682</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="25">3.97 3.78 3.33 3.14 3.06 2.91 2.76 1.97 1.84 1.83 1.82 1.80 1.72 1.71 1.69 1.50 1.50 1.45 1.41 1.37 1.32 1.31 1.26 1.20 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 2 1 2 1 2 3 2 3 1 3 2 3 1 1 1 1 3 2 1 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S D:x2-y2 S D:x2-y2 S S S S D:x2-y2 S P:x S D:xz D:x2-y2 D:z2 D:yz S S D:yz D:yz S D:xz D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">1.232 -5.688 -4.492 -5.688 -4.492 -5.688 1.232 -5.688 1.232 -4.492 1.232 -0.436 0.215 -4.492 -4.492 -4.492 -4.492 1.232 -5.688 -4.492 -4.492 0.215 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.80 2.00 0.80 2.00 0.00 2.00 0.00 0.80 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 2.00 0.80 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">18 18 22 9 5 1 1 16 9 11 16 108 108 21 4 21 19 2 2 3 2 109 2 16 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W Cs Cs W 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">0.700</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="28">6.65 5.69 5.49 5.43 4.83 4.38 3.96 3.93 2.85 2.57 2.45 2.11 1.93 1.71 1.66 1.63 1.60 1.54 1.45 1.34 1.32 1.31 1.30 1.24 1.22 1.15 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 2 2 3 2 2 3 3 2 2 2 3 3 1 1 1 2 1 1 3 2 1 3 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S P:z P:y S S S S P:z S S D:z2 D:z2 D:xy P:y S D:z2 S S S S S D:x2-y2 D:yz D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">0.215 -5.688 -5.688 0.215 -0.436 -0.436 1.232 1.232 -5.688 -5.688 -0.436 1.232 1.232 0.031 0.031 0.031 -0.436 -5.054 -4.492 1.232 -5.688 -5.054 1.232 -5.688 0.031 0.031 -4.492 -6.493</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">109 21 14 108 108 109 21 14 11 2 109 11 2 109 108 109 108 104 22 20 15 105 15 20 108 108 13 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Cs W W Cs Cs Cs W W W W Cs W W Cs Cs Cs Cs Tc W W W Tc W W Cs Cs W H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.739</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">525</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.50 4.73 4.37 4.20 3.59 3.58 3.14 2.83 2.46 2.27 2.24 2.19 1.62 1.56 1.53 1.47 1.46 1.43 1.39 1.36 1.31 1.24 1.21 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 1 2 1 2 3 2 2 3 3 3 1 1 1 1 1 2 1 1 2 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S D:z2 S D:x2-y2 S S S S S S S D:xz S D:yz D:yz D:yz S D:yz D:x2-y2 S S P:y P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">0.215 0.031 -5.688 0.031 -5.688 0.215 -5.688 -5.688 1.232 1.232 1.232 -4.492 -6.493 -4.492 -4.492 0.031 -5.688 -4.492 -4.492 -5.688 1.232 -0.436 -0.436 -2.078</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 1.00 0.80 0.80 0.00 2.00 0.80 0.80 2.00 0.00 0.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">108 109 7 108 11 109 15 12 7 15 11 2 102 12 13 109 16 7 22 10 12 108 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs Cs W Cs W Cs W W W W W W H W W Cs 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">0.749</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">4.06 3.88 3.68 3.27 2.80 2.70 2.57 2.55 2.36 2.35 2.32 2.02 1.90 1.87 1.75 1.53 1.49 1.48 1.46 1.45 1.45 1.40 1.36 1.27 1.26 1.25 1.18 1.09 1.08 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 2 2 3 2 2 3 2 1 1 3 2 2 1 3 1 1 2 3 3 3 2 2 1 3 3 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S D:yz D:x2-y2 S S S D:z2 S D:x2-y2 D:yz S S S S S S P:x S S D:x2-y2 D:x2-y2 D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 1.232 -5.688 0.031 -4.492 1.232 -5.688 -5.688 -4.492 1.232 -4.492 0.031 -5.688 1.232 1.232 0.215 -5.688 -5.688 -5.485 1.232 1.232 0.031 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.80 0.00 2.00 2.00 0.80 0.00 0.80 0.00 2.00 0.00 0.00 0.00 2.00 2.00 1.00 0.00 0.00 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">20 3 13 22 20 2 10 3 8 108 22 13 16 19 22 2 5 109 15 10 22 109 5 1 106 8 16 109 16 5 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W Cs W W W W W W W Cs W W W Cs W W P W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.848</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="33">3.48 3.10 3.03 2.89 2.52 2.33 2.26 2.21 2.08 2.06 1.91 1.77 1.71 1.70 1.69 1.59 1.59 1.56 1.51 1.44 1.43 1.39 1.25 1.23 1.18 1.18 1.18 1.16 1.16 1.15 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">2 2 3 2 3 2 3 2 2 1 2 2 1 1 1 3 2 1 2 2 2 3 1 1 1 2 1 1 3 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S P:x S S S S P:z D:xz S S D:z2 S D:x2-y2 S S D:yz S S S S D:yz D:x2-y2 D:yz P:y D:yz D:x2-y2 S P:y P:y D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-5.688 -5.688 0.215 -0.436 1.232 -5.688 1.232 -5.688 -0.436 0.031 -5.688 -5.688 0.031 -6.493 -4.492 1.232 -5.688 -4.492 -5.688 -5.688 -5.688 0.215 -4.492 -4.492 -4.492 -0.436 0.031 -4.492 1.232 -5.485 -0.436 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">2.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 1.00 0.80 0.00 2.00 0.80 2.00 2.00 2.00 0.00 0.80 0.80 0.80 0.00 0.00 0.80 0.00 1.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">5 8 109 109 5 4 8 19 108 109 9 1 108 103 22 19 7 19 16 18 12 108 2 16 1 109 108 5 16 106 108 11 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W Cs Cs W W W W Cs Cs W W Cs H W W W W W W W Cs W W W Cs Cs W W P Cs W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.879</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="29">4.24 3.95 3.29 2.84 2.76 2.71 2.65 1.95 1.84 1.78 1.72 1.69 1.68 1.65 1.55 1.49 1.46 1.44 1.35 1.34 1.31 1.26 1.23 1.19 1.18 1.08 1.08 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 1 2 3 2 2 1 2 2 2 1 1 2 1 3 1 2 3 1 2 3 3 1 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S P:x D:z2 P:y S P:y P:z D:xy S S S D:x2-y2 D:xz S D:xz S D:z2 S S D:x2-y2 S S S D:yz D:xy D:x2-y2 D:z2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">0.215 -0.436 0.031 -0.436 0.215 -0.436 -0.436 0.031 -5.688 -5.688 -5.688 -4.492 0.031 -5.688 -4.492 1.232 -4.492 -5.688 1.232 -4.492 -5.688 1.232 1.232 -4.492 -4.492 0.031 -4.492 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.80 0.00 2.00 0.80 0.00 0.80 2.00 0.00 0.80 2.00 0.00 0.00 0.80 0.80 0.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 108 109 108 109 109 109 108 2 7 11 14 108 22 8 2 22 13 22 5 1 13 11 21 13 109 5 21 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs Cs Cs Cs Cs Cs Cs Cs W W W W Cs W W W W W 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">0.892</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="29">4.41 3.35 3.14 3.09 2.97 2.92 2.57 2.20 2.15 2.00 1.83 1.80 1.59 1.56 1.55 1.53 1.48 1.43 1.28 1.24 1.22 1.17 1.12 1.11 1.11 1.06 1.06 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 3 3 2 2 2 1 1 1 1 3 1 3 1 1 2 2 2 1 2 2 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y S S S S P:x S S D:z2 D:xz S D:z2 S D:xz D:x2-y2 S S P:z D:xy S S D:z2 D:xy D:yz D:xy D:xy D:z2 D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-0.436 0.215 0.215 -5.688 -5.688 -0.436 -5.054 -5.054 -4.492 0.031 1.232 0.031 1.232 -4.492 -4.492 -5.688 -5.688 -0.436 -4.492 -5.688 -5.688 -4.492 0.031 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.80 0.00 0.00 0.00 0.00 0.80 0.80 2.00 2.00 0.00 0.80 2.00 2.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 109 108 9 4 109 104 105 11 108 9 109 4 8 5 11 2 109 20 10 20 15 108 1 9 2 4 4 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs Cs Cs W W Cs Tc Tc W Cs W Cs W W W W W Cs W W W W Cs W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.931</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="24">4.96 3.80 3.03 2.86 2.73 2.67 2.63 2.56 2.37 2.26 2.24 1.77 1.75 1.75 1.67 1.48 1.47 1.46 1.43 1.26 1.17 1.14 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 2 1 1 1 2 1 1 3 3 3 1 1 2 3 2 1 1 1 2 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z S S D:xy D:z2 S S D:x2-y2 S S S S D:xz D:x2-y2 P:y S S D:z2 D:xy D:yz S D:x2-y2 S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-0.436 -5.688 -5.688 0.031 0.031 -5.054 -5.688 -4.492 -5.054 1.232 0.215 0.215 -4.492 -4.492 -0.436 1.232 -5.688 -4.492 -4.492 -4.492 -5.688 -4.492 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.80 2.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 2.00 0.80 0.80 0.80 2.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">109 21 19 109 108 104 16 16 105 21 108 109 19 14 108 19 14 22 13 21 22 3 16 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs W W Cs Cs Tc W W Tc W Cs Cs W W Cs 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">0.953</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="46">5.11 4.67 4.46 4.16 4.15 4.11 3.77 3.60 3.42 3.20 3.11 3.07 3.07 2.87 2.87 2.41 2.36 2.32 2.21 2.19 2.10 2.10 2.09 2.06 2.03 2.01 1.89 1.85 1.83 -1.76 -1.69 -1.67 -1.66 -1.51 1.47 -1.45 1.37 1.35 1.27 1.21 1.20 1.10 1.10 1.10 -1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="46">2 2 3 2 2 3 2 2 2 2 3 2 3 2 3 3 2 2 3 1 3 1 2 3 3 2 3 2 2 2 2 2 2 1 2 1 3 3 2 2 3 2 3 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="46">S S S S S S S S S S S S S S S S S P:x S S S S P:x S S S S P:z S S P:x S P:x S S S S S S P:z S S S D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="46"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 1.232 -5.688 1.232 1.232 -5.688 -0.436 1.232 -6.493 1.232 -6.493 -0.436 1.232 1.232 -5.688 1.232 -0.436 -5.688 0.790 2.224 0.790 2.224 -5.054 -5.688 -5.054 1.232 1.232 -5.688 -0.436 1.232 -5.688 1.232 -4.492 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="46">2.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="46">4 3 4 13 9 9 22 20 15 10 21 14 14 21 3 10 5 108 15 103 22 102 109 13 20 8 2 108 2 105 107 104 106 105 16 104 11 16 11 109 19 19 5 15 6 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="46">W W W W W W W W W W W W W W W W W Cs W H W H Cs W W W W Cs W Tc P Tc P Tc W Tc W W W Cs W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.012</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="31">4.83 4.63 4.09 2.92 2.90 2.71 2.57 2.50 2.25 2.25 1.88 1.85 1.84 1.82 1.79 1.77 1.75 1.70 1.66 1.65 1.52 1.41 1.38 1.35 1.16 1.13 1.10 1.10 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 2 2 1 2 3 2 1 2 3 2 2 1 1 1 2 3 3 2 2 2 1 1 1 1 1 3 3 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S D:z2 S S S D:xz S S S P:y D:xy D:x2-y2 D:x2-y2 S S S S S S D:x2-y2 D:z2 D:yz D:xz D:yz S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -4.492 -5.688 1.232 -5.688 -4.492 -5.688 1.232 -5.688 -0.436 -4.492 -4.492 -4.492 -5.688 1.232 1.232 -5.688 -5.688 -5.688 -4.492 -4.492 0.031 -4.492 0.031 1.232 1.232 -4.492 -2.078 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 2.00 0.80 2.00 0.00 2.00 0.80 2.00 0.00 2.00 0.00 0.80 0.80 0.80 2.00 0.00 0.00 2.00 2.00 2.00 0.80 0.80 0.00 0.80 0.00 0.00 0.00 0.80 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">2 14 11 11 21 14 19 19 22 2 5 109 2 16 5 9 11 21 16 13 8 19 22 109 8 108 5 22 2 109 4</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 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">1.079</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="23">13.75 13.43 5.09 4.55 4.33 4.30 3.93 3.75 3.54 3.46 3.44 2.99 2.94 2.47 1.87 1.71 1.53 -1.39 1.38 1.38 1.18 -1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 1 2 1 1 3 1 2 3 2 2 3 3 1 2 2 2 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S D:xy S D:yz D:xy S D:yz S S P:y S S S D:yz S S P:x P:z S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -5.688 0.031 -5.688 0.031 0.031 1.232 0.031 -5.688 1.232 -0.436 -5.688 1.232 1.232 -4.492 -5.688 -2.078 -0.436 -0.436 -5.688 -2.078 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 2.00 1.00 0.00 0.00 2.00 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">108 109 16 108 19 109 109 16 108 11 19 108 2 11 2 7 14 108 109 109 21 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs W Cs W Cs Cs W Cs W W Cs W W W W W Cs Cs Cs W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.103</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="30">4.81 4.63 4.13 4.08 3.87 3.40 3.02 3.02 2.81 2.69 2.58 2.22 2.17 1.91 1.85 1.84 1.70 1.68 1.52 1.50 1.47 1.46 1.40 1.39 1.38 1.38 1.29 1.19 1.18 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 3 3 2 3 2 1 3 1 2 1 1 1 1 2 2 2 1 2 1 3 1 2 1 3 2 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S D:yz S D:z2 P:x D:xz D:x2-y2 D:x2-y2 D:xz P:z S S D:z2 P:x D:x2-y2 S D:xy S D:xy S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 1.232 -5.688 1.232 -5.688 0.031 1.232 0.031 -0.436 0.031 0.031 -4.492 -4.492 -0.436 -5.688 -5.688 -4.492 -0.436 0.031 1.232 -4.492 -5.688 0.031 1.232 -5.688 -5.688 1.232 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 2.00 2.00 0.80 0.00 0.00 0.00 0.80 2.00 0.00 0.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">21 14 14 21 4 4 9 108 9 109 109 109 108 5 8 108 19 16 22 108 109 19 13 18 108 16 2 12 2 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W Cs W Cs Cs Cs Cs W W Cs W W W Cs Cs W W W Cs W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.211</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.62 5.60 5.24 4.21 3.69 3.05 3.03 2.97 2.97 2.00 1.99 1.97 1.93 1.81 1.76 1.74 1.61 1.55 1.45 1.26 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 3 3 1 2 3 3 2 1 2 1 1 2 2 1 1 2 2 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 S S D:xy S S S S D:xz P:z D:x2-y2 D:x2-y2 S S D:yz D:xz S S D:x2-y2 P:x S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.215 0.215 0.031 -5.688 1.232 1.232 -5.688 0.031 -0.436 -4.492 -4.492 -5.688 -5.688 0.031 0.031 -5.688 -5.688 -4.492 -0.436 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 0.80 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">109 108 109 108 12 7 1 1 108 109 14 12 18 7 109 109 10 5 15 108 8 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs Cs W W W W Cs Cs W W W W Cs Cs W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.217</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">13.60 11.55 4.56 3.09 2.83 2.73 2.39 2.17 2.04 1.97 1.58 1.56 1.54 1.42 1.41 1.30 1.27 1.08 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 2 1 2 2 2 1 1 3 1 2 2 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz D:xy D:xy S D:x2-y2 S S S S S S D:x2-y2 P:z S P:y S D:yz S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 0.790 0.031 -5.688 0.790 -5.688 -5.054 -5.054 1.232 -4.492 -0.436 -5.688 -0.436 -5.688 -4.492 -6.493 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 0.80 0.00 2.00 0.00 2.00 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">108 109 109 108 104 109 18 105 7 104 105 16 11 108 3 109 10 19 103 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Cs Cs Cs Cs Tc Cs W Tc W Tc Tc W W Cs W Cs W W H W</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">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.75 4.46 3.52 3.48 3.39 3.10 2.25 2.19 2.05 1.98 1.90 1.79 1.73 1.65 1.61 1.53 1.53 1.50 1.47 1.36 1.36 1.35 1.35 1.16 1.08 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 1 1 3 1 1 1 3 1 2 2 1 1 2 2 2 1 1 2 1 2 2 2 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S D:z2 D:xy S D:xy D:z2 D:x2-y2 S D:z2 S S D:xz D:yz P:y S P:x D:yz D:xy S D:yz S S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">0.215 0.215 0.031 0.031 1.232 0.031 0.031 0.031 1.232 -4.492 -5.688 -5.688 0.031 -4.492 -0.436 -5.688 -0.436 0.031 -4.492 -5.688 -4.492 -5.688 -5.688 -5.688 -4.492 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 2.00 2.00 0.00 0.80 0.00 2.00 0.00 0.00 0.80 2.00 0.80 2.00 2.00 2.00 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">109 108 109 109 12 108 108 108 18 15 12 1 109 12 108 3 109 108 20 4 1 10 7 13 7 4 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs Cs Cs Cs W Cs Cs Cs W W W W Cs W Cs W Cs Cs 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">1.299</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="21">8.07 7.21 7.15 6.48 3.93 3.44 3.09 2.60 2.23 2.04 2.01 1.92 1.71 1.71 -1.42 1.38 1.37 -1.31 1.30 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 2 2 1 2 2 1 3 3 2 1 3 3 2 2 1 3 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy S S D:xz S S D:yz S S S D:yz S S S S D:z2 S S D:z2 D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">0.031 -5.688 -5.688 0.031 -5.688 -5.688 0.031 1.232 1.232 -5.688 0.031 0.215 0.215 -5.688 -2.078 -4.492 1.232 -2.078 0.031 0.031 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 1.00 0.80 0.00 1.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">108 15 20 109 10 3 109 13 22 13 108 109 108 22 109 15 10 108 108 109 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Cs W W Cs W W Cs W W W Cs Cs Cs W Cs W W Cs Cs Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.328</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="25">4.20 4.12 4.05 3.90 3.14 3.08 2.74 2.62 2.61 2.30 2.11 2.00 1.91 1.75 1.71 1.69 1.66 1.44 1.35 1.25 1.24 1.18 1.13 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 2 2 2 3 1 3 3 3 1 3 2 1 1 1 1 1 3 1 1 2 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S D:yz S S S D:xy S S D:z2 D:yz D:xz D:z2 D:yz S D:z2 D:x2-y2 S S S D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 1.232 0.031 1.232 1.232 1.232 0.031 1.232 -5.688 0.031 -4.492 -4.492 -4.492 -4.492 1.232 0.031 -4.492 -5.688 -5.688 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.80 0.80 0.80 0.80 0.00 0.00 0.80 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">11 19 16 2 16 109 19 14 11 108 2 14 108 12 8 15 7 9 109 10 3 10 15 20 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W Cs W W W Cs W W Cs W W W W W Cs W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.341</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="34">5.07 4.51 4.18 3.95 3.85 2.62 2.48 2.17 2.12 1.77 1.75 1.67 1.62 1.59 1.59 1.47 1.46 1.38 1.36 1.32 1.30 1.28 1.26 1.22 -1.22 1.20 1.17 1.17 1.15 1.13 -1.12 1.11 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">2 2 2 2 2 2 1 1 3 3 1 1 3 3 1 3 1 1 1 2 2 1 1 3 3 2 2 1 3 1 3 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">S S S S S S D:xz D:x2-y2 S S D:yz D:x2-y2 S S S S S D:x2-y2 S S S D:yz D:yz S S S S D:x2-y2 S D:xz S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -5.688 -5.688 0.031 0.031 1.232 1.232 -4.492 -4.492 1.232 1.232 -14.028 1.232 -14.028 -4.492 -6.493 -5.688 -5.688 -4.492 -4.492 1.232 1.232 -5.688 -5.688 -4.492 1.232 -4.492 1.232 1.232 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 2.00 0.00 2.00 0.80 1.00 2.00 2.00 0.80 0.80 0.00 0.00 2.00 2.00 0.80 0.00 0.80 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">10 3 15 6 20 17 108 109 15 9 1 4 12 18 106 20 107 12 103 18 9 18 7 10 6 12 7 16 7 19 17 3 9 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W Cs Cs W W W W W W P W P W H 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">1.362</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="23">5.88 4.19 4.12 3.92 3.54 2.99 2.96 2.84 2.49 2.21 2.12 1.75 1.73 1.65 1.64 1.34 1.25 1.22 1.14 1.13 1.11 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 3 2 3 1 3 2 3 1 2 3 1 1 3 2 1 1 2 3 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S D:x2-y2 S S S D:z2 S S P:y D:x2-y2 S P:y P:z D:xz S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.232 0.215 1.232 -5.688 0.215 -4.492 1.232 -5.688 1.232 -4.492 -5.688 1.232 -9.089 0.031 1.232 -0.436 -9.089 0.031 -5.688 1.232 -4.492 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.00 2.00 0.00 0.80 0.00 2.00 0.00 0.80 2.00 0.00 1.33 0.00 0.00 0.00 1.33 0.00 2.00 0.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">21 109 4 21 108 5 14 4 5 22 14 9 49 108 8 108 23 109 9 13 8 8 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W Cs W W Cs W W W W W W W O Cs W Cs O Cs W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.412</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="32">7.21 7.12 4.87 3.86 3.43 2.69 2.65 2.64 1.93 1.67 1.64 1.63 1.59 1.53 1.42 1.39 1.38 1.38 1.35 1.30 1.25 1.24 1.20 1.20 1.17 1.15 1.11 1.11 1.07 1.03 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 2 2 2 2 3 3 3 3 3 1 2 2 1 3 1 1 1 3 2 2 1 3 1 2 3 3 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:xy D:z2 S S P:x P:y S S S S S D:xz S S D:xz S P:z D:xz D:z2 S P:z S S S D:x2-y2 S S S P:z D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">0.031 0.031 -5.688 -5.688 -0.436 -0.436 1.232 1.232 1.232 1.232 1.232 -4.492 -5.688 -5.688 -4.492 1.232 -5.485 0.031 -4.492 1.232 -0.436 -5.688 -5.054 1.232 -4.492 -5.688 0.215 1.232 -5.485 -4.492 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 2.00 2.00 0.80 0.00 1.00 0.00 0.80 0.00 0.00 2.00 2.00 0.00 0.80 2.00 0.00 0.00 1.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">109 108 18 12 109 108 3 10 18 5 8 2 20 15 19 12 106 109 11 15 108 3 104 21 19 13 109 20 107 16 10 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">Cs Cs W W Cs Cs W W W W W W W W W W P Cs W W Cs W Tc W W W Cs W P W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.463</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.02 5.22 5.09 4.98 4.92 4.02 3.71 3.58 3.45 2.99 2.90 2.66 2.34 1.88 1.86 1.80 1.76 1.63 1.42 1.35 1.26 1.24 1.11 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 2 3 3 2 2 2 3 3 1 2 1 1 3 2 1 2 3 3 1 1 3 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy S S S S S S S S D:xy S S S S S D:z2 P:y S S D:yz D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 -5.688 1.232 1.232 -5.688 -5.688 -5.688 1.232 1.232 0.031 -5.688 -6.493 -6.493 1.232 -5.688 0.031 -0.436 1.232 1.232 -4.492 0.031 1.232 -5.688 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 1.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">108 12 22 12 6 17 18 13 18 109 22 103 102 8 13 109 108 7 6 1 109 1 1 5 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs W W W W W W W W Cs W H H W W Cs 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">1.481</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="24">6.02 4.44 4.08 3.70 3.52 3.50 3.36 3.30 2.82 2.41 2.12 2.06 1.97 1.86 1.75 1.61 1.58 1.54 1.47 1.19 1.16 1.07 -1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 3 3 2 1 1 2 3 1 2 2 1 2 1 3 2 2 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:z2 S S S D:yz D:x2-y2 S S D:x2-y2 S P:x D:yz S D:z2 S P:y P:z P:x P:y S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">0.031 0.031 1.232 1.232 -5.688 0.031 0.031 -5.688 0.215 0.031 -5.688 -0.436 0.031 -5.688 -4.492 0.215 -0.436 -0.436 -5.485 -5.485 -5.054 -5.054 -2.078 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 0.00 0.00 0.00 1.00 1.00 2.00 2.00 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">108 109 15 20 15 109 108 20 108 109 7 108 108 1 11 109 109 109 106 107 104 105 108 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs Cs W W W Cs Cs W Cs Cs W Cs Cs W W Cs Cs Cs P P Tc Tc Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.535</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">545</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.70 7.68 6.94 6.18 5.74 4.77 4.11 3.38 3.20 3.04 2.81 2.50 2.18 1.99 1.79 1.66 1.62 1.47 1.41 1.30 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 2 2 2 2 3 2 3 2 2 3 3 3 2 3 3 1 3 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S P:y S S D:yz S D:x2-y2 D:yz S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 1.232 -5.688 -5.688 1.232 1.232 1.232 -0.436 1.232 1.232 -4.492 1.232 -4.492 0.031 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">5 1 8 22 13 1 7 5 10 3 13 7 22 108 8 10 18 3 14 109 4 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W Cs W W W W W Cs W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.540</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">546</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">13.97 10.03 6.61 6.22 4.79 3.88 3.46 3.20 3.14 2.72 2.65 2.08 2.03 2.02 1.93 1.79 1.51 1.39 1.33 1.24 1.08 1.08 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 2 2 1 3 2 1 2 2 2 1 2 2 1 3 1 3 2 1 3 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz P:z S D:xz S P:y D:xy S S P:y D:xz S P:z D:z2 S D:xy S S D:z2 S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">0.031 0.031 -0.436 -5.688 0.031 1.232 -0.436 0.031 -5.688 -5.688 -0.436 0.031 -5.688 -0.436 0.031 1.232 0.031 1.232 -5.688 0.031 0.215 -4.492 0.031 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">108 109 109 7 109 7 108 108 8 1 109 108 9 108 108 8 109 1 13 109 109 12 109 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs Cs Cs W Cs W Cs Cs W W Cs Cs W Cs Cs W Cs W W Cs Cs W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">547</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.63 5.49 5.08 4.70 4.54 4.21 3.89 3.60 3.44 2.82 2.78 2.55 2.41 1.86 1.76 1.50 1.43 1.39 1.39 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 2 2 2 2 2 1 3 2 3 3 3 2 2 2 3 1 1 2 3 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 P:y P:z S S S D:yz S S S S S S P:x S S D:yz D:xz P:x S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 -0.436 -0.436 -5.688 -5.688 -5.688 0.031 1.232 -5.688 1.232 1.232 1.232 -5.688 -0.436 -5.688 1.232 0.031 0.031 -0.436 1.232 -5.054 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">109 108 109 8 5 18 108 18 12 5 12 8 13 109 22 1 109 108 108 19 105 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs W W W Cs W W W W W W Cs W W Cs Cs Cs W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.617</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">548</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.60 3.25 2.71 2.70 2.46 2.40 2.27 2.25 2.23 2.16 2.09 2.06 1.98 1.88 1.86 1.86 1.83 1.59 1.58 1.57 1.57 1.47 1.47 1.44 1.40 1.38 1.37 1.28 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 3 1 3 1 3 3 3 3 1 3 1 2 3 2 3 2 3 1 2 1 1 2 2 3 3 1 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:z2 S D:xy S D:z2 S S S S D:xz S P:x S S S S S S P:z S S S S S S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">0.031 0.031 1.232 0.031 1.232 0.031 1.232 1.232 1.232 1.232 0.031 1.232 -5.485 -5.688 1.232 -5.688 1.232 -5.688 1.232 -5.485 -5.688 -6.493 -6.493 -5.688 -5.688 1.232 1.232 -4.492 1.232 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.00 0.00 2.00 0.00 2.00 0.00 1.00 2.00 1.00 1.00 2.00 2.00 0.00 0.00 0.80 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">109 108 16 108 22 109 13 6 8 19 109 12 106 6 17 12 15 15 18 107 17 103 102 18 22 20 5 7 11 16 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Cs Cs W Cs W Cs W W W W Cs W P W W W W W W P 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">1.736</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">549</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.26 7.45 6.39 6.26 5.12 4.54 3.81 3.04 2.94 2.61 2.51 1.97 1.91 1.90 1.89 1.54 1.51 1.50 1.37 1.36 -1.33 1.30 1.26 1.18 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 3 1 3 1 2 2 1 1 1 2 3 3 1 1 1 2 2 3 1 2 3 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S P:z D:xy D:yz D:z2 S S S S D:x2-y2 S S S S D:x2-y2 S S D:x2-y2 S D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-5.688 1.232 -5.054 0.215 -6.493 -5.688 -0.436 0.031 0.031 0.031 -5.688 1.232 0.215 -5.054 -4.492 -14.028 -5.688 -5.688 1.232 -4.492 -2.078 1.232 0.031 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 0.00 2.00 0.00 1.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 2.00 2.00 2.00 0.00 0.80 1.00 0.00 0.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">10 10 104 108 102 17 108 108 109 109 9 9 109 105 10 106 20 13 4 15 109 13 109 15 9 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Tc Cs H W Cs Cs Cs Cs W W Cs Tc W P W W W W Cs W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.792</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">550</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.67 8.98 8.48 7.44 4.92 3.67 3.65 3.28 3.09 2.82 2.74 2.54 2.16 2.05 1.91 1.89 -1.42 1.23 1.18 1.14 -1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">2 1 1 1 3 2 3 3 2 2 3 2 1 2 2 3 2 3 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S D:x2-y2 D:xz S S S S S S S S S S P:x S P:z S S D:x2-y2 P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-5.688 -5.054 0.031 0.031 0.215 -5.688 1.232 0.215 -5.688 -5.688 1.232 -5.688 -14.028 0.790 -0.436 1.232 -0.436 1.232 -5.688 -4.492 -0.504 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">15 105 109 108 109 10 17 108 17 3 15 20 107 105 108 3 108 10 22 11 10 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W Tc Cs Cs Cs W W Cs W W W W P Tc Cs W Cs W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.297</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">11.15 10.59 9.13 7.65 7.20 6.36 4.57 4.36 4.36 4.25 3.19 3.15 2.39 2.13 1.93 1.91 1.64 1.61 1.53 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 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 -5.054 -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">91 98 58 71 59 64 70 51 68 61 65 60 83 93 92 105 62 94 69 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.255</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="19">18.30 15.87 12.78 8.99 6.45 3.74 3.57 2.82 2.78 2.56 2.24 2.01 1.77 1.47 1.33 1.28 1.22 1.21 1.14</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 D:x2-y2 D:yz 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 -4.492 -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 0.80 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">92 72 61 64 59 76 60 84 83 65 91 51 93 15 9 69 99 101 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.235</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="18">13.04 10.82 9.63 7.99 7.09 5.40 5.36 5.23 4.01 3.64 3.53 3.29 2.72 2.60 1.75 1.55 1.53 1.45</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">36 44 85 96 46 97 54 42 33 26 34 53 37 57 28 52 35 77</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">-23.214</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="23">9.49 8.64 7.39 6.43 5.90 5.31 5.11 4.63 4.08 4.07 4.01 3.89 3.71 3.62 3.43 3.40 2.03 1.53 1.48 1.30 1.26 1.22 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">S S S S S S S S S S S S S S S S S D:x2-y2 S S S S 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 -4.492 -24.020 -24.020 -24.020 -24.020 -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 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">57 38 26 52 46 35 31 96 28 42 29 36 44 30 77 24 85 22 37 27 97 33 54</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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.186</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="19">12.59 9.07 8.34 6.67 6.07 5.86 5.81 4.95 4.89 4.84 3.76 3.58 3.45 2.97 2.72 1.47 1.43 1.39 1.39</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:z2 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 -4.492 -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 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">83 76 70 71 59 92 69 101 65 63 94 91 93 61 84 17 58 98 51</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">-23.107</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">13.67 11.31 8.55 7.97 7.62 5.16 4.64 4.32 3.54 3.52 3.17 2.88 2.66 2.52 2.41 2.38 2.27 1.25 1.19</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">34 53 52 35 37 97 30 24 96 54 42 33 81 85 36 46 43 44 49</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">-23.057</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="16">23.03 19.03 14.26 5.15 4.74 3.79 3.73 3.73 2.54 2.50 2.32 2.13 1.36 1.15 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">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">62 60 72 64 99 68 63 94 79 90 59 91 69 71 58 101</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">-23.037</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="17">12.20 12.18 8.27 7.44 7.34 6.36 6.05 5.65 5.46 4.33 4.20 2.55 1.27 1.26 1.20 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">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">97 37 44 96 85 36 27 46 53 42 34 33 77 28 35 43 23</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">-23.028</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="23">9.42 8.95 6.75 6.40 5.87 4.80 4.78 4.47 4.45 4.18 3.46 3.38 2.77 2.62 2.48 2.11 1.94 1.90 1.59 1.45 1.33 1.22 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">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="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 -24.020 -24.020 -24.020 -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 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">94 84 99 70 63 69 68 93 66 58 95 76 101 88 98 51 25 71 83 67 89 56 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.024</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">14.29 11.01 9.97 8.44 8.15 6.36 5.94 4.48 3.70 3.59 3.42 3.09 1.35 1.18 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">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 -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">54 30 33 24 42 34 53 35 46 52 36 96 85 45 81</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">-23.003</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="19">18.84 12.26 10.63 6.70 5.94 5.50 4.68 3.97 3.88 3.26 3.04 1.68 1.67 1.38 1.31 1.30 1.16 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -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">31 29 27 46 38 33 42 48 87 53 24 54 44 32 34 55 85 104 77</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 Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.967</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="23">8.33 7.49 7.37 6.27 6.25 6.06 5.97 5.73 5.58 4.36 4.10 2.56 2.37 2.21 2.17 1.93 1.91 1.88 1.70 1.69 1.63 1.43 1.22</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 S S S 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 -24.020 -24.020 -24.020 -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 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">83 70 63 68 62 84 98 101 76 58 71 60 94 72 99 92 64 61 69 65 93 67 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.913</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="17">22.33 9.24 6.81 6.43 6.37 5.06 4.82 4.35 3.96 3.62 3.53 3.24 3.02 2.68 1.64 1.21 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">66 68 94 58 93 99 101 63 69 98 95 51 71 89 80 59 70</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">-22.891</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="20">19.72 17.74 7.08 6.10 5.11 4.17 3.93 3.61 3.56 3.39 2.49 2.22 2.11 1.65 1.29 1.29 1.26 1.20 1.17 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 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 -4.492 -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 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">66 95 71 65 91 58 61 99 51 63 59 98 105 80 92 62 14 69 60 101</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 W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.887</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">134</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">24.69 10.37 10.22 6.77 6.68 6.47 4.50 2.80 2.65 1.91 1.87 1.76 1.66 1.18 1.17 1.15 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S D:yz 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 -4.492 -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 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">81 77 43 26 28 38 57 27 96 46 34 45 42 21 85 31 86 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.882</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="16">8.34 8.11 7.93 7.73 7.48 6.60 6.15 5.70 5.08 5.08 4.96 4.09 3.96 3.87 3.84 2.96</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">97 42 37 36 46 96 85 44 34 54 52 35 53 33 30 24</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">-22.856</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="18">17.29 10.70 7.99 6.76 6.66 5.99 4.47 4.28 4.27 3.54 3.26 2.95 2.66 2.56 2.51 2.11 1.46 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">66 95 62 72 58 64 61 70 99 94 71 93 84 60 92 83 68 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.849</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="20">19.82 16.29 7.18 5.63 4.69 3.91 3.73 3.46 3.12 3.04 2.45 2.32 2.01 1.77 1.76 1.62 1.43 1.16 1.12 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 D:x2-y2 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 -4.492 -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 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">66 95 84 70 51 63 59 89 69 99 91 94 98 101 79 92 58 72 14 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.848</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">35.76 34.65 3.01 2.52 1.63 1.53 1.48 1.46 1.28 1.22 1.13 1.07 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 D:z2 S S D:x2-y2 S D:yz D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">81 43 53 87 48 4 44 57 21 85 4 21 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.830</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="19">31.36 7.44 5.91 4.42 4.08 3.62 3.43 3.39 3.25 2.85 2.82 2.76 2.69 2.52 2.50 1.47 1.46 1.38 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S 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="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 -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 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">95 91 84 89 76 94 83 93 51 72 62 65 70 59 63 88 9 25 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.828</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="22">26.51 12.16 6.85 5.02 3.70 3.29 2.85 2.77 2.73 2.63 2.62 2.46 2.31 1.99 1.92 1.89 1.74 1.60 1.42 1.25 1.21 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">S S S S S S S S S S S S S S D:z2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -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="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 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="22">43 81 27 77 26 28 96 45 97 36 31 38 34 24 4 57 37 53 44 48 33 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O 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">-22.817</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="18">20.58 9.39 6.93 6.14 5.73 5.45 4.72 4.72 4.16 3.88 3.30 2.89 2.77 1.77 1.77 1.65 1.54 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">87 48 43 42 38 31 55 29 53 27 46 45 26 57 77 18 81 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.816</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="16">32.44 19.79 4.62 4.18 4.09 3.43 3.34 2.98 2.54 2.32 2.25 1.70 1.66 1.55 1.37 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S D:yz 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">48 87 81 31 46 38 29 34 27 1 42 32 26 86 57 54</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">-22.805</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="8">39.95 36.62 2.07 1.98 1.85 1.79 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S D:yz S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">87 48 1 31 18 29 55 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-22.801</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">60.25 6.80 4.63 3.33 3.02 2.42 1.92 1.89 1.69 1.54 1.49</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S D:z2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">88 80 90 15 89 61 67 79 92 70 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.795</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="22">17.84 11.64 11.36 5.78 4.31 3.88 3.75 3.56 2.94 2.85 2.39 2.37 2.16 2.10 1.92 1.89 1.66 1.58 1.51 1.31 1.24 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S S S S S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">89 76 83 63 67 94 98 68 70 90 84 71 80 65 66 58 93 61 69 72 11 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 O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.784</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="16">41.16 8.79 6.31 5.12 5.08 4.24 3.15 3.05 2.64 2.03 1.90 1.78 1.48 1.28 1.22 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S D:z2 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 -4.492 -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 0.80 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">89 88 79 69 101 68 11 99 83 92 71 80 95 56 94 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O 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">-22.780</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="14">27.72 27.04 16.78 2.29 1.96 1.95 1.81 1.55 1.54 1.39 1.18 1.11 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S S S S D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">45 86 55 33 48 43 28 57 97 32 87 46 2 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-22.776</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="9">56.70 24.68 2.64 1.86 1.46 1.43 1.18 1.06 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">S S D:yz D:x2-y2 S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -4.492 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 0.80 0.80 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">90 80 12 12 76 16 79 83 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O 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">-22.773</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="11">40.45 9.94 9.81 8.15 3.69 3.12 2.82 2.17 1.29 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">79 67 55 88 90 45 80 7 89 83 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-22.771</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="10">46.80 14.22 9.50 3.14 2.42 2.36 2.14 1.99 1.33 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S D:xy S S 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 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">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="10">55 45 79 86 80 20 88 54 29 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.762</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="10">39.95 14.63 12.74 8.19 2.21 2.12 1.88 1.47 1.29 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 D:x2-y2 S S 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 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">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="10">80 79 90 89 88 16 60 91 51 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-22.756</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">152</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">56.11 8.83 6.13 3.98 3.91 2.36 2.09 1.65 1.60 1.10 1.07 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 D:yz S S D:x2-y2 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 -4.492 -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 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">67 79 56 89 25 10 99 80 10 91 90 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-22.753</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="11">43.25 27.28 4.36 2.36 2.24 2.02 1.97 1.48 1.48 1.35 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S D:xz S S S S D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">86 45 77 55 19 26 32 28 96 2 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-22.747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">154</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">65.34 8.11 4.19 3.33 2.02 1.75 1.43 1.24 1.21 1.17 1.04 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 D:xz S S S S D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">25 67 56 8 76 59 91 90 8 83 65 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.744</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="7">75.20 3.61 3.31 1.89 1.67 1.49 1.09</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 D:x2-y2 S D:xz S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 0.80 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">32 45 3 33 3 29 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.735</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="11">67.99 8.31 3.65 2.10 1.82 1.76 1.56 1.38 1.19 1.17 1.09</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 D:xy S S S S S S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -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="11">2.00 2.00 0.80 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="11">56 25 13 67 79 59 76 63 94 13 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O 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">-22.733</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="16">36.80 12.19 4.48 4.20 4.13 3.95 3.86 3.25 3.19 2.56 2.08 1.73 1.63 1.25 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S D:x2-y2 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">49 23 34 27 53 35 31 52 38 26 5 32 77 37 28 45</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">-22.728</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="13">44.16 23.90 6.32 3.98 2.43 1.88 1.51 1.39 1.38 1.37 1.35 1.34 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S D:z2 S D:x2-y2 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 -4.492 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">23 49 57 86 22 26 5 77 97 32 36 28 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.700</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="14">15.28 12.03 10.24 8.47 8.33 5.81 5.76 4.04 3.73 3.61 3.38 2.99 2.82 1.25</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">28 77 23 57 46 96 36 42 86 49 26 44 85 52</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">-22.683</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="19">17.89 16.26 15.69 9.20 4.15 3.80 3.63 3.39 3.14 2.02 1.79 1.64 1.47 1.32 1.27 1.21 1.09 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S D:z2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">49 23 27 31 29 54 24 33 30 52 42 35 26 32 53 28 22 34 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 W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.664</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="17">16.83 15.29 10.49 9.48 8.95 8.69 3.70 3.05 3.03 2.93 2.67 1.88 1.59 1.46 1.41 1.33 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">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">94 63 62 98 64 93 60 101 51 69 65 56 58 25 71 99 68</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">-22.645</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">17.07 13.77 7.00 6.60 6.48 6.38 6.11 5.99 5.93 5.45 5.28 5.06 1.35 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">27 31 29 54 33 35 24 30 52 34 53 38 23 49</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">-22.644</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">16.05 13.86 12.23 12.15 11.01 8.07 4.34 2.86 2.48 1.59 1.55 1.50 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 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">71 65 58 59 51 91 92 61 76 25 56 84 93</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">-22.624</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="12">15.96 15.56 15.25 12.06 11.59 6.30 4.29 3.95 3.25 2.89 2.29 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">60 101 69 99 68 72 62 98 93 94 63 64</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">-22.618</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="20">14.39 11.08 10.53 8.35 7.05 5.50 5.20 4.82 3.63 3.59 2.95 2.22 2.01 1.98 1.92 1.73 1.55 1.49 1.45 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">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 42 77 37 85 96 29 28 33 54 44 38 97 34 57 24 36 53 30 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.577</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="12">16.95 14.15 13.42 10.13 8.88 7.98 5.85 5.74 2.81 2.80 2.55 1.96</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">57 46 28 97 44 36 42 26 77 37 96 85</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">-22.528</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="13">32.12 19.72 8.08 6.56 5.78 3.94 2.22 2.19 2.17 1.64 -1.21 1.19 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S S P:z 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 -0.773 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">51 58 61 91 65 71 92 70 84 59 105 63 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-22.480</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="11">35.00 19.32 9.74 8.97 6.96 4.68 2.96 2.75 1.83 -1.66 1.47</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S S S S P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -0.773 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">65 71 51 92 59 58 83 76 61 105 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-22.258</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="2">94.73 0.96</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="2">1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="2">S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="2"
                               units="nonsi:electronvolt">-24.020 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="2">2.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="2">40 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="2">O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.936</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">11.20 9.80 8.15 7.29 6.84 6.08 3.91 3.91 3.90 3.83 3.20 2.49 2.23 2.05 1.84 1.82 1.49 1.26 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y S P:z S P:z S S S S P:y P:x P:y P:x S P:z S P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               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 -14.028 -9.089 3.429 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 2.00 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">75 82 107 78 107 73 82 73 78 75 73 78 50 41 106 47 106 39 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O P O P O O O O O O O O O P O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-14.928</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="19">10.24 9.33 8.35 8.16 6.84 5.65 3.93 3.92 3.92 3.83 3.73 2.48 2.47 2.19 1.76 1.73 1.63 1.54 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:z S S P:z S S S S P:y P:x P:x P:y S P:x P:z S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -14.028 3.429 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089 -9.089 -9.089 -9.089 -14.028 -9.089 -9.089 3.429 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 2.00 0.00 1.33 2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33 2.00 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">50 41 47 106 106 39 47 50 41 39 39 47 75 82 107 39 78 107 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O P P O O O O O O O O O P O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.030</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="8">43.00 18.06 11.99 6.22 5.33 2.75 2.53 1.30</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">P:y P:z S D:xz D:x2-y2 S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.493 -4.492 -4.492 -24.020 2.471 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">1.33 1.33 1.00 0.80 0.80 2.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">100 100 103 6 6 100 103 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">O O H W W O H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.022</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="9">52.59 11.76 8.92 5.38 3.37 2.67 2.48 1.18 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">P:x S D:xz P:z P:y S S P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-9.089 -6.493 -4.492 -9.089 -9.089 -24.020 2.471 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">1.33 1.00 0.80 1.33 1.33 2.00 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">74 102 17 74 74 74 102 73 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O H W O O O H O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.756</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="13">23.91 15.65 8.07 6.26 5.17 3.78 2.14 1.92 1.88 1.71 1.42 1.37 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">P:x P:x P:z P:x P:z P:y P:x P:z P:z P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -9.089 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 1.33 2.00 2.00 1.33 1.33 1.33 1.33 1.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">108 109 108 75 109 108 41 73 39 39 107 73 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Cs Cs Cs O Cs Cs O O O O P O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.716</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="18">13.62 13.14 12.36 10.19 5.91 4.38 2.82 2.41 2.02 1.88 1.65 1.38 1.37 1.11 1.11 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:x P:z P:z P:x P:y P:z P:y P:y P:z P:y P:z P:y S D:x2-y2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-13.534 -9.089 -13.534 -9.089 -13.534 -9.089 -13.534 -5.485 -5.485 -9.089 2.224 2.224 -9.089 -9.089 -24.020 -4.492 -24.020 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 1.33 2.00 1.33 2.00 1.33 2.00 1.00 1.00 1.33 0.00 0.00 1.33 1.33 2.00 0.80 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">108 50 109 47 109 47 108 106 106 39 106 106 41 41 47 20 50 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs O Cs O Cs O Cs P P O P P O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.702</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">176</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">12.45 11.98 8.17 6.61 6.23 4.83 3.73 3.48 2.94 2.93 1.92 1.67 1.24 1.14 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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:x P:x P:z P:y P:y P:z P:y P:z P:x P:x P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -9.089 -9.089 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 2.224 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 1.33 1.33 2.00 2.00 1.33 1.33 1.33 1.33 1.00 1.33 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">108 109 108 78 82 109 109 50 47 78 82 107 75 107 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Cs Cs Cs O O Cs Cs O O O O P O P P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.694</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="18">13.58 10.41 8.05 6.68 4.91 4.80 2.98 2.90 2.54 2.45 1.80 1.74 1.55 1.34 1.31 1.28 1.26 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:x P:x P:z P:y P:x P:y P:z P:y P:y P:z P:y P:x P:x P:y P:x P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -13.534 -13.534 -9.089 -9.089 -9.089 -13.534 -9.089 -9.089 -5.485 -5.485 2.224 -9.089 -9.089 -9.089 -9.089 2.224 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 2.00 2.00 1.33 1.33 1.33 2.00 1.33 1.33 1.00 1.00 0.00 1.33 1.33 1.33 1.33 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">82 108 109 78 50 78 108 47 73 107 107 107 47 75 75 82 107 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O Cs Cs O O O Cs O O P P P O O O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.689</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="12">25.65 19.20 8.91 3.90 3.81 3.65 3.24 2.97 2.14 1.68 1.48 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">P:y P:z P:x P:y P:z P:x P:z P:z P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -13.534 -9.089 -9.089 -9.089 -13.534 -5.485 -9.089 2.224 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 1.33 2.00 1.33 1.33 1.33 2.00 1.00 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">108 109 75 109 73 41 78 108 107 82 107 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Cs Cs O Cs O O O Cs P O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.674</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">179</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">15.64 11.54 6.84 5.80 4.82 3.85 3.34 3.02 2.90 2.86 2.12 1.97 1.71 1.63 1.54 1.22 1.11 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:x P:z P:y P:y P:z P:z P:x P:y P:x P:x P:y P:x P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-13.534 -9.089 -13.534 -13.534 -13.534 -9.089 -13.534 -9.089 -9.089 -5.485 -9.089 2.224 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33 1.33 1.00 1.33 0.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">109 75 108 108 108 82 109 39 78 107 39 107 39 78 73 50 47 106 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Cs O Cs Cs Cs O Cs O O P O P O O O O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.664</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="19">11.58 10.95 7.05 6.01 5.15 3.74 3.66 2.54 2.51 2.37 2.32 2.25 2.02 1.96 1.76 1.70 1.63 1.41 1.40</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 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:y P:z P:x P:x P:z P:z P:x P:z P:y P:y P:y P:y S P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -13.534 -9.089 -13.534 -9.089 -9.089 -9.089 -13.534 -9.089 -5.485 -9.089 -13.534 -9.089 -5.485 -24.020 2.224 -9.089 -9.089 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 2.00 1.33 2.00 1.33 1.33 1.33 2.00 1.33 1.00 1.33 2.00 1.33 1.00 2.00 0.00 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 108 39 109 75 39 50 108 47 106 47 109 41 106 39 106 41 50 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O Cs O Cs O O O Cs O P O Cs O P O P O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.648</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">181</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="5">40.70 37.37 10.55 3.82 3.80</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:x 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">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">-12.633</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="12">27.80 15.88 10.34 6.37 4.75 3.61 2.50 2.45 1.43 1.25 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">P:z P:x P:z P:y P:x P:z P:x P:y P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">108 108 109 108 109 73 41 82 78 50 82 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Cs Cs Cs Cs Cs O O O O O O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.625</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">183</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="8">42.43 21.90 8.18 3.62 2.33 1.84 1.53 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">P:y P:z P:x P:x P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 2.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">109 108 109 108 109 78 73 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">Cs Cs Cs Cs Cs O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.615</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="17">19.06 5.05 4.85 4.36 4.33 3.98 3.82 3.08 2.38 2.10 2.09 1.83 1.79 1.64 1.19 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">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="17">P:x P:z P:x P:x P:z P:y P:x P:x P:z P:x P:y P:x S P:y D:x2-y2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -13.534 -13.534 -9.089 -9.089 -5.485 2.224 -13.534 -9.089 -9.089 -9.089 -24.020 -9.089 -4.492 -13.534 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 2.00 2.00 1.33 1.33 1.00 0.00 2.00 1.33 1.33 1.33 2.00 1.33 0.80 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">41 47 108 109 73 50 106 106 109 39 73 50 41 47 2 108 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O Cs Cs O O P P Cs O O O O O W Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.599</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="15">32.10 13.25 6.08 2.78 2.66 2.32 2.19 2.10 1.68 1.53 1.35 1.34 1.14 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:z P:z P:y P:y P:y P:z P:x P:x P:x P:z P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -9.089 -13.534 -13.534 -9.089 -5.485 -9.089 2.224 -5.485 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 1.33 1.33 1.33 1.33 1.33 2.00 2.00 1.33 1.00 1.33 0.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">109 108 73 78 73 82 82 108 109 41 107 73 107 107 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Cs Cs O O O O O Cs Cs O P O P P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.400</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="19">9.93 9.67 9.59 9.50 7.64 7.47 2.81 2.75 2.70 2.55 2.46 2.39 2.29 1.98 1.85 1.61 1.51 1.44 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:y P:y P:y P:z D:x2-y2 P:y P:z D:yz D:yz D:x2-y2 D:yz D:z2 D:xz D:yz D:z2 D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">35 53 34 52 38 38 4 27 27 4 18 22 1 5 21 21 21 1 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W O O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.375</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="25">8.02 7.48 5.98 5.97 4.68 4.44 4.43 3.64 3.17 3.02 2.69 2.65 2.42 2.22 2.09 2.01 1.77 1.77 1.39 1.36 1.33 1.16 1.06 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:x P:x P:z P:x P:y P:y D:x2-y2 P:y D:x2-y2 P:z D:xz D:yz D:x2-y2 D:z2 D:xy P:z D:yz P:z P:z P:y D:xy P:z 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 -4.492 -9.089 -4.492 -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 -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 0.80 1.33 0.80 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">93 64 98 94 64 63 62 98 12 63 7 62 13 9 14 12 8 93 14 69 94 101 7 99 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W O W O W W W W W 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">-12.334</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="21">9.73 8.64 6.43 5.89 5.20 5.15 3.23 3.13 2.47 2.30 2.06 1.72 1.44 1.39 1.37 1.24 1.22 1.21 1.08 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">P:z P:y P:z P:y P:y P:y P:z P:z D:x2-y2 D:z2 D:yz P:y D:x2-y2 D:yz D:yz P:z D:xz P:x 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 -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 -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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">69 101 99 68 72 60 72 60 11 16 7 64 15 10 12 101 16 94 68 64 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W W W O W W W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.330</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">9.26 6.42 5.87 5.26 4.77 4.64 3.72 3.29 2.98 2.94 2.56 2.46 2.40 1.58 1.50 1.44 1.30 1.19 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:y P:x P:y P:z P:x P:y P:y P:z D:xz P:z D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy P:z P:z D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">33 24 54 54 29 29 30 30 31 31 2 33 1 19 3 18 18 24 69 1 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O W O W W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.285</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="22">14.68 10.47 6.49 5.47 4.24 2.92 2.53 2.40 2.22 2.22 2.17 2.17 1.75 1.75 1.64 1.59 1.55 1.52 1.49 1.21 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 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x D:z2 P:y P:x P:x P:x D:x2-y2 D:xz P:z D:x2-y2 P:z P:z P:y P:z P:x D:z2 D:yz D:z2 P:x P:x D:yz</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 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 4.055 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 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 0.00 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 84 17 83 91 76 61 11 17 91 17 84 61 76 58 59 17 14 14 51 92 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W O O O O W W O W O O O O O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.281</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="22">9.04 6.22 5.96 5.71 5.42 4.11 3.33 3.19 2.58 2.25 2.17 2.08 1.86 1.71 1.53 1.49 1.47 1.25 1.24 1.22 1.14 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:x P:z P:x P:y D:x2-y2 P:x D:xz P:x D:xz P:x D:z2 D:xy P:x P:z P:z D:yz D:yz P:y D:x2-y2 P:z 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 -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 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 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 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">37 44 97 85 85 6 26 6 77 2 57 6 6 28 26 44 2 19 96 4 85 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O W O W O W O W W O O O W W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.176</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="22">10.21 9.67 6.04 4.85 4.06 3.09 2.98 2.96 2.19 2.06 2.06 1.96 1.73 1.71 1.64 1.60 1.51 1.41 1.36 1.30 1.19 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:y P:x P:x P:x P:x P:y P:z P:x D:xz P:x P:z D:x2-y2 P:z D:xz P:z P:y D:yz P:z D:x2-y2 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 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">44 97 37 57 85 28 26 85 36 77 6 46 57 4 44 19 26 96 19 28 22 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O W O O W O W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.168</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="23">10.71 8.33 6.20 5.05 4.61 4.58 3.03 2.87 2.67 2.66 2.60 2.26 2.20 2.16 1.89 1.46 1.27 1.20 1.18 1.17 1.16 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:y P:x P:x P:z P:y P:x D:x2-y2 P:x D:x2-y2 P:z P:x P:z P:y D:yz P:z P:z D:x2-y2 D:xz P:x P:x P:y 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 -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 -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 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">83 76 59 70 76 84 16 92 17 59 91 83 71 9 92 91 11 13 61 65 59 16 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W O W O O O O W O 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">-11.747</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.37 10.95 5.74 5.68 5.05 3.95 3.67 3.40 3.07 2.94 2.92 2.66 2.30 2.26 2.19 1.96 1.85 1.52</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:z P:x P:y P:x D:z2 P:x D:xy D:yz D:x2-y2 D:x2-y2 P:y P:x P:y D:yz D:z2 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 -4.492 -9.089 -4.492 -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="18">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 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">35 52 53 33 34 24 1 54 18 18 18 1 54 30 30 1 5 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O W O W W W W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.679</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="22">11.54 7.41 7.35 5.50 4.11 3.84 3.63 2.84 2.55 2.55 2.47 2.39 2.37 2.31 1.66 1.59 1.53 1.38 1.20 1.18 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:z P:x P:z P:y P:x D:yz D:yz D:xz P:y P:z D:xy D:x2-y2 P:x P:y P:y D:x2-y2 D:x2-y2 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 -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 -4.492 -4.492 -4.492 -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 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">64 62 64 98 62 72 93 9 14 13 98 72 8 14 63 63 68 8 15 11 60 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W W W O O W W O O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.665</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">10.23 7.48 5.92 5.16 5.07 5.06 4.66 4.35 3.88 3.58 3.40 2.82 2.65 2.26 1.88 1.44 1.26 1.09 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:x P:z P:y P:x P:z P:x D:z2 D:x2-y2 P:y P:y D:x2-y2 P:x P:z D:yz D:xz D:xy P:y D:xy D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -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 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">93 69 101 94 99 98 12 7 98 68 12 63 93 7 13 7 63 8 7 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W W O O W O O W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.659</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">8.42 8.16 6.79 6.21 5.34 5.15 4.72 4.44 4.32 3.78 2.26 2.16 1.96 1.89 1.40 1.40 1.36</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:z P:y P:x P:y P:z P:y P:y P:x P:x P:z D:x2-y2 D:yz P:z D:xz D:yz 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 -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="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 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">33 35 52 24 54 53 34 30 54 30 33 1 1 24 18 18 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O 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">-11.636</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">9.58 9.56 7.99 7.09 6.58 6.49 4.12 3.07 2.61 2.53 2.40 2.34 1.52 1.41 1.40 1.38 1.36 1.29 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:z P:y P:z P:y P:z D:x2-y2 D:yz D:z2 D:xz P:y D:yz D:x2-y2 P:z P:z P:x P:z P:y D:z2</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 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">38 38 52 35 27 27 22 4 5 5 34 21 4 52 53 24 31 31 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W W W W O W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.587</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="22">12.62 8.23 7.10 5.46 4.37 4.31 3.80 3.28 2.99 2.60 2.56 2.38 2.11 1.82 1.75 1.49 1.46 1.41 1.20 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:z P:y P:y P:y P:z P:y D:x2-y2 D:x2-y2 P:z P:y P:z P:x D:z2 P:z D:yz P:z D:yz D:xz P:y D:xy 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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -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="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 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="22">72 72 60 101 64 60 68 11 15 64 62 69 98 16 99 15 62 10 10 98 10 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W W O O O O W 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">-11.571</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="17">12.61 7.86 7.84 7.11 4.79 4.67 3.47 3.12 2.88 2.74 2.02 1.97 1.94 1.89 1.36 1.15 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:z P:y P:x P:x P:y P:x P:y P:x D:yz P:y P:z D:x2-y2 D:yz P:z 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 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">69 99 101 93 94 68 98 98 63 7 63 93 12 12 94 16 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O W O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.537</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">201</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.08 10.87 5.94 5.92 4.64 3.44 2.93 2.69 2.68 2.61 2.58 1.85 1.72 1.67 1.66 1.60 1.51 1.35 1.28 1.25 1.25 1.07 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:z P:y P:x D:z2 D:x2-y2 P:x D:xz P:x P:y D:yz P:x P:y P:z D:yz P:y P:z P:z D:x2-y2 D:z2 D:xz P:x 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 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -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 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">31 31 29 29 24 20 3 33 2 30 54 3 54 38 38 20 30 30 33 19 3 20 31 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W O W O O W O O O W O O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.520</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="21">9.52 6.17 5.15 5.02 4.06 3.94 2.79 2.68 2.58 2.37 2.04 1.88 1.76 1.75 1.54 1.42 1.35 1.32 1.17 1.16 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z P:x P:z P:z P:x P:z P:y P:x D:xz P:z P:y D:z2 D:xz D:z2 P:z P:y D:x2-y2 P:y 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 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">91 70 61 91 58 59 61 83 92 8 59 91 14 11 11 92 71 16 60 84 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O W O O W W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.508</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="26">8.04 7.99 4.53 4.09 3.06 3.05 2.69 2.57 2.51 2.27 2.02 1.93 1.92 1.85 1.83 1.79 1.72 1.67 1.50 1.48 1.46 1.35 1.29 1.17 1.16 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x P:x P:z P:z P:y P:x D:xz P:y P:z P:x D:x2-y2 D:x2-y2 P:z P:x P:z P:z D:xy P:y P:z D:x2-y2 D:x2-y2 P:y D:xz</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 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">57 26 28 77 44 57 26 85 46 19 37 97 85 4 5 28 42 77 44 2 42 36 22 21 96 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O O O W W O O O O W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.488</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="19">9.16 6.53 6.18 6.10 4.45 3.57 3.34 3.09 2.74 2.34 2.25 2.06 1.94 1.81 1.51 1.41 1.28 1.23 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:z P:y P:x P:x P:z P:z P:y P:x D:x2-y2 P:z D:yz P:z P:z P:y P:y P:y D:xz 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 -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="19">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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">59 59 83 92 91 92 70 71 61 16 91 9 83 58 91 84 59 13 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O 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">-11.474</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="26">9.86 8.46 4.67 4.14 4.03 3.46 2.72 2.52 2.32 2.30 2.30 1.85 1.78 1.69 1.60 1.59 1.43 1.37 1.36 1.28 1.20 1.18 1.17 1.13 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x P:x P:z P:x P:x P:z P:y P:z P:z P:z P:x P:z P:y P:y D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:xy D:z2 D:yz D:z2 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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">26 57 77 28 44 57 85 46 26 85 28 97 36 42 77 96 37 5 4 6 22 21 2 19 4 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.337</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="19">21.77 5.96 5.75 4.54 3.74 3.72 3.69 2.93 2.68 2.27 2.20 2.10 2.07 1.97 1.53 1.45 1.45 1.18 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:y P:x P:x D:yz D:x2-y2 P:x S P:z D:x2-y2 D:yz D:xy P:z P:y P:x P:z D:x2-y2 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 -4.492 -6.681 -9.089 -5.054 -9.089 -4.492 -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="19">1.33 1.33 1.33 1.33 1.33 0.80 1.00 1.33 2.00 1.33 0.80 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="19">96 42 37 85 42 20 104 77 104 37 5 6 20 77 85 50 96 6 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O W Tc O Tc O W 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">-11.315</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="20">21.26 8.45 6.65 6.26 4.97 2.95 2.73 2.66 2.41 2.38 1.65 1.56 1.55 1.42 1.37 1.17 1.10 1.06 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:x P:x P:z D:z2 P:z D:xz D:xz D:yz P:x P:y P:y P:z D:xz D:z2 D:x2-y2 P:y D:x2-y2 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 -6.681 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -6.681 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.00 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">36 46 44 97 104 46 6 104 3 28 96 36 28 3 3 104 97 22 57 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O Tc O W Tc W O O O O W W Tc O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.298</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="22">14.17 8.84 6.01 5.27 4.51 3.94 3.82 3.33 2.87 2.59 2.48 2.20 2.19 2.04 1.91 1.74 1.60 1.54 1.29 1.29 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:x P:x P:z D:xz P:z D:x2-y2 P:x P:y D:z2 D:z2 D:xy D:z2 P:y D:x2-y2 P:z P:y D:xz D:xz 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 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -6.681 -6.681 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -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 1.00 1.33 0.80 1.33 1.33 0.80 1.00 1.00 0.80 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">51 58 84 61 70 105 51 15 65 71 17 105 105 15 65 105 61 83 17 8 76 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O Tc O W O O W Tc Tc W O Tc O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.245</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">8.04 7.06 6.25 6.01 4.24 3.70 3.02 2.71 2.29 2.22 2.14 2.01 1.96 1.83 1.41 1.38 1.29 1.22 1.19 1.14 1.12 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:y P:y P:x D:x2-y2 D:x2-y2 P:x S P:z P:y P:x P:x P:z P:x P:z P:x D:xy D:xy D:xy P:y D:yz 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 -4.492 -9.089 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -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 0.80 0.80 1.33 2.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">65 76 71 65 92 10 17 84 105 83 83 51 73 82 61 92 60 105 13 16 76 17 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W W O Tc O O O O O O O O Tc W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.226</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="33">4.63 4.43 3.60 3.55 3.12 2.85 2.64 2.45 2.37 2.36 2.35 2.35 2.29 2.21 2.17 2.04 1.94 1.71 1.60 1.56 1.55 1.45 1.44 1.41 1.34 1.30 1.24 1.23 1.22 1.18 1.09 1.09 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:xy P:x P:x P:y D:xy P:x P:x P:x P:y P:z P:z P:y D:yz P:z D:xz P:z D:xy D:xz P:x P:z P:z D:z2 P:y P:z P:y P:z P:x P:z P:y D:xy P:y</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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">44 85 4 38 34 97 6 53 52 35 57 26 77 28 6 37 21 54 22 1 37 30 33 2 33 24 24 29 27 42 54 18 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O O O W O O O O O O O W O W O W W O O O W O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.179</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="38">4.08 3.82 3.81 3.55 3.46 3.39 2.75 2.60 2.41 2.29 2.23 2.09 2.02 1.99 1.93 1.93 1.90 1.90 1.80 1.80 1.79 1.79 1.70 1.65 1.62 1.56 1.52 1.41 1.37 1.36 1.35 1.31 1.26 1.19 1.16 1.14 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:y D:yz P:y P:z P:x P:x D:xy P:y D:xz P:z P:x P:z P:x P:x D:z2 D:xz P:y P:x D:yz P:z D:z2 P:y P:y D:xy P:z P:x P:y D:xy D:yz D:xy P:z P:x P:z P:y P:z D:xz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -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="38">1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 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="38">84 17 70 76 69 101 11 83 12 63 60 64 68 99 9 16 71 59 14 83 13 61 94 7 93 72 91 15 8 17 98 83 70 64 92 7 91 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O W O O O O W O W O O O O O W W O O W O W O O W O O O W W 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">-11.012</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="26">4.87 4.48 4.39 4.29 3.74 3.51 2.30 2.03 1.59 1.58 1.56 1.55 1.54 1.50 1.45 1.38 1.33 1.32 1.29 1.22 1.21 1.12 1.09 1.07 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:z P:y P:z P:y P:z P:z P:y P:z D:yz P:z D:yz D:x2-y2 P:y D:yz P:y P:y P:z D:x2-y2 D:xy P:y P:x P:y D:yz D:xz</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 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -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 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">41 41 50 47 39 39 47 52 50 24 1 33 18 19 35 22 30 48 87 1 2 54 50 33 5 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O W O W W O W O O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.007</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">7.81 6.71 4.97 3.76 3.45 2.34 2.32 2.32 2.21 2.16 2.14 2.00 1.72 1.56 1.50 1.47 1.46 1.43 1.41 1.39 1.14 1.09 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:x P:x P:x P:y D:xz P:z D:xy D:z2 P:z P:z D:yz P:x P:x P:y P:x P:y P:y P:z P:y D:xy 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 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 10.371 -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="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.00 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="24">78 82 82 78 64 92 9 61 14 15 72 78 107 75 98 82 93 72 73 73 75 10 101 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O W W O O P 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">-10.997</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="26">9.23 5.21 4.98 3.15 2.97 2.71 2.17 1.96 1.92 1.83 1.60 1.60 1.50 1.45 1.43 1.40 1.39 1.38 1.34 1.33 1.28 1.27 1.21 1.10 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:x P:x P:x P:y P:y D:x2-y2 P:x D:xz P:y P:x D:xy P:y P:x P:z P:x P:z P:z D:yz D:z2 D:z2 P:y P:y D:x2-y2 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 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 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 0.00 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">47 50 50 47 31 50 77 3 41 20 39 54 21 35 28 52 33 38 28 106 4 22 38 41 5 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W O W O O W O O O O O O P W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.991</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="27">5.47 4.92 4.68 3.98 3.92 3.84 2.32 1.88 1.87 1.85 1.71 1.66 1.61 1.55 1.51 1.42 1.42 1.38 1.33 1.24 1.23 1.22 1.16 1.14 1.13 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:y P:z P:z P:z P:y P:z P:y P:y D:yz D:x2-y2 P:z D:yz P:y D:yz D:x2-y2 P:z P:z P:y P:z D:z2 P:y P:y P:z P:z 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 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">73 78 75 75 73 82 82 101 98 69 7 8 78 16 90 12 12 93 94 63 89 11 93 80 79 92 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O W W O W O W W 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">-10.932</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="16">6.96 4.87 3.71 3.48 3.13 2.79 2.73 2.10 1.72 1.60 1.40 1.31 1.22 1.09 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:z P:x P:y P:x P:x P:z P:y P:x D:x2-y2 D:xz P:z P:x D:xz P:x D:xy</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 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.33 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">39 75 82 75 40 78 50 47 47 104 105 40 64 104 41 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O Tc Tc O O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.903</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="19">6.53 5.32 4.36 4.35 3.09 2.51 2.13 1.98 1.84 1.68 1.57 1.32 1.27 1.24 1.22 1.18 1.17 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y P:x P:z P:z P:z P:y P:z P:y P:y P:z P:z P:z D:z2 D:xy D:z2 D:xz D:xy 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 -4.492 -4.492 10.371 -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 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">47 39 50 39 50 41 24 30 35 41 47 34 52 18 18 106 1 1 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O W W P W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.882</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">218</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">7.30 5.69 2.91 2.51 2.20 2.04 1.60 1.47 1.37 1.25 1.17 1.14 1.12 1.07 1.06 1.05 1.04 1.04 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:x P:z P:y P:z P:x P:x P:x P:x P:x P:y P:y D:xy P:z P:x P:y D:yz P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 75 75 50 82 78 47 50 41 59 47 5 91 96 73 13 62 36 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O W O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.867</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="20">5.99 5.86 3.77 3.55 3.39 3.07 2.39 2.34 2.21 2.00 1.88 1.62 1.41 1.31 1.24 1.24 1.18 1.11 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:x P:y P:z P:z P:z P:z D:z2 P:y P:y P:z P:y D:xy P:x P:x P:z P:x D:xy 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 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 10.371 -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 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">82 75 78 73 75 82 73 78 7 99 93 98 82 12 83 65 68 59 107 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W O O O O W O O O O P O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.833</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="28">5.40 5.24 4.05 3.71 3.67 2.45 2.25 2.16 2.10 2.04 2.01 2.00 1.73 1.72 1.66 1.63 1.56 1.55 1.50 1.42 1.31 1.21 1.19 1.09 1.05 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:x P:z P:y P:y P:y P:y P:x P:y P:z P:z P:z P:x P:x D:yz P:x P:x P:y P:z P:x D:xy D:z2 D:yz D:yz P:x D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">41 41 50 36 96 26 53 39 97 85 39 34 44 37 39 2 54 47 37 57 29 19 18 19 4 44 22 21</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 W O O 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">-10.803</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="25">9.49 3.98 3.52 3.15 2.47 2.36 2.35 2.32 2.23 2.15 2.06 2.03 1.81 1.77 1.63 1.58 1.44 1.32 1.30 1.26 1.22 1.19 1.13 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:z P:x P:y P:y P:y P:x P:x P:x P:z P:z D:xy D:xz P:y D:xy P:z P:y P:y P:z P:x P:x 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 -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</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">73 51 84 78 78 76 83 65 63 75 82 78 16 11 65 12 74 69 75 70 70 94 58 89 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O W 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">-10.703</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="37">6.73 4.16 4.11 3.61 2.82 2.49 2.36 2.36 2.29 2.20 2.18 1.97 1.89 1.83 1.78 1.77 1.58 1.50 1.47 1.46 1.42 1.41 1.37 1.36 1.36 1.34 1.31 1.23 1.21 1.20 1.16 1.15 1.10 1.08 1.05 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:xz P:x P:z P:x P:y P:z P:z P:x D:xy D:z2 P:x P:z P:y P:y P:x P:y P:y D:xz P:y P:z P:z P:x D:x2-y2 D:xy D:xz P:x D:x2-y2 D:xz D:x2-y2 P:y P:z D:xz P:x D:xy D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">35 1 52 54 97 57 30 26 34 18 6 33 33 33 24 37 52 53 21 30 24 85 53 19 22 5 26 18 19 2 28 44 18 54 4 1 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O W O O O O O O O W W O O O O O O O W O O O O W W W O W W W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.691</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="30">5.03 4.58 4.47 4.08 3.25 2.67 2.49 2.24 2.24 2.19 1.87 1.82 1.76 1.68 1.65 1.63 1.62 1.54 1.50 1.50 1.48 1.47 1.44 1.35 1.24 1.22 1.18 1.12 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:z P:z D:yz D:yz D:z2 D:z2 P:y P:z P:z D:x2-y2 P:x P:z D:z2 P:z P:y D:yz P:y P:x P:z P:y P:x P:x P:y D:xy D:z2 P:y D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">70 91 64 83 17 11 13 9 64 59 101 8 98 60 14 62 58 14 69 93 98 61 62 101 92 11 7 98 16 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O W W W W O O O W O O W O O W O O O O O O O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.684</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="29">5.91 4.18 3.77 3.72 3.23 2.83 2.71 2.67 2.63 2.55 2.44 2.36 2.34 2.31 1.96 1.88 1.88 1.88 1.85 1.84 1.83 1.81 1.79 1.62 1.35 1.17 1.14 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y D:xy P:x P:y P:x P:x P:y P:x P:z P:z P:y D:xz P:x D:xy D:xz P:z D:z2 D:xy P:z D:x2-y2 P:z D:xy D:x2-y2 P:y P:z D:x2-y2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               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 -4.492 -4.492 -9.089 -4.492 -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="29">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 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="29">38 57 22 52 44 27 29 46 35 26 33 54 5 85 4 4 42 2 19 85 18 44 6 21 85 52 19 54 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O W O O O O O O O O O W O W W O W 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">-10.665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">225</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.89 5.75 5.26 4.94 3.25 3.14 3.05 2.85 2.61 2.46 2.31 2.15 1.93 1.86 1.78 1.73 1.66 1.53 1.47 1.46 1.43 1.33 1.29 1.27 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z D:xz P:x P:x P:x P:z P:z P:z P:y D:xz D:xz D:xy P:x P:y P:y D:xy P:z P:x D:xy D:z2 P:y P:x D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -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="25">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 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="25">69 93 12 101 99 68 59 98 63 98 16 7 7 59 91 94 11 76 70 17 13 93 83 16 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O W O O O O O O O W W W O O O W 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">-10.616</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="33">5.46 5.35 3.27 2.86 2.76 2.44 2.32 2.22 2.17 2.12 1.96 1.79 1.79 1.77 1.69 1.53 1.50 1.50 1.47 1.42 1.29 1.24 1.23 1.22 1.16 1.12 1.12 1.10 1.09 1.08 1.08 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:y P:z D:z2 P:z P:y P:z D:z2 P:z P:y D:z2 D:yz P:z P:y D:z2 P:z P:y P:z P:y D:yz P:y D:xy P:y D:yz P:z P:y D:z2 P:z D:z2 P:z P:z D:xy D:yz P:y</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 -4.492 -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 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 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 1.33 1.33 1.33 1.00 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">36 96 3 31 97 37 20 38 31 4 6 30 38 21 34 43 81 24 104 35 6 44 5 77 28 2 85 1 52 29 18 22 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O O O W O O W W O O W O O O O Tc O W O W O O W O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.572</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="32">5.20 3.99 3.47 3.46 3.32 2.98 2.79 2.73 2.36 2.30 2.29 2.20 2.11 1.92 1.84 1.62 1.58 1.52 1.48 1.43 1.41 1.40 1.33 1.33 1.19 1.18 1.16 1.10 1.06 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:x P:y D:yz D:xy P:y P:z P:y D:xy P:z P:x P:y D:xz D:xy P:z P:y P:x P:z D:xz P:y P:x P:z P:x P:y P:x P:z P:y D:xz P:x P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -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 -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 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 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 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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">72 64 84 17 15 93 76 51 12 98 68 70 10 14 65 61 99 94 7 63 65 83 60 83 62 71 58 14 79 92 8 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O W W O O O W O O O W W O O O O W O O O O O O O O W O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.486</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="33">2.09 1.93 1.90 1.85 1.76 1.74 1.70 1.68 1.65 1.64 1.57 1.45 1.44 1.38 1.38 1.38 1.32 1.31 1.30 1.30 1.29 1.25 1.22 1.21 1.21 1.16 1.10 1.09 1.08 1.07 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:z2 D:x2-y2 D:yz P:y P:x P:y P:z P:x P:z D:x2-y2 D:xy D:xz D:x2-y2 P:z P:z P:z D:z2 D:yz P:y P:y D:yz P:z P:y P:z P:y D:x2-y2 P:y D:xz D:z2 P:y P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -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 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">19 20 5 33 100 38 86 54 44 21 2 4 2 37 81 52 4 6 35 45 22 54 31 38 29 18 26 3 3 24 96 21 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W O O O O O O W W W W O O O W W O O W O O O O W O W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.463</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="28">3.59 3.06 2.64 2.40 2.20 1.82 1.78 1.77 1.64 1.61 1.58 1.55 1.48 1.45 1.44 1.37 1.36 1.31 1.31 1.29 1.29 1.22 1.20 1.19 1.19 1.18 1.13 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:yz P:y P:y P:z P:x P:z D:yz P:x P:y P:x D:x2-y2 P:y D:x2-y2 P:x D:x2-y2 P:z D:z2 D:z2 P:z D:x2-y2 P:y D:xz P:y P:z D:xy P:y D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-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 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">16 69 76 101 72 84 11 60 99 70 13 59 17 83 9 68 12 7 91 10 84 14 74 80 17 89 15 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W O O O O O W O O O W O W O W O W W O W O W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.288</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="16">3.42 2.79 2.78 2.45 2.44 2.38 2.18 1.87 1.84 1.82 1.76 1.55 1.52 1.29 1.19 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:x P:z P:x P:x D:xy P:x P:z P:y D:xy D:xy D:xy P:z P:z 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 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">40 37 74 30 100 6 24 34 94 1 17 7 40 84 39 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O W O O O W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.266</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="23">3.36 3.02 2.70 2.43 2.24 2.06 2.05 1.70 1.62 1.60 1.59 1.56 1.49 1.32 1.31 1.26 1.23 1.22 1.16 1.15 1.10 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">D:xy D:xy P:x P:x D:xy P:z P:z P:y P:x D:xy P:y P:y P:x D:xy D:z2 D:x2-y2 P:z P:z P:y D:yz D:z2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -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 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 6 37 30 17 74 34 43 31 7 94 38 48 3 4 2 84 81 33 4 21 44 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W O O W O O O O W O O O W W W O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.260</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">232</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.46 2.86 2.86 2.53 2.46 2.30 2.09 1.99 1.96 1.81 1.72 1.65 1.64 1.63 1.61 1.56 1.56 1.52 1.47 1.38 1.34 1.25 1.21 1.18 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z D:xz P:x P:z P:y P:x D:xz D:z2 D:z2 D:xy P:y P:y P:y D:yz P:y P:x P:z D:x2-y2 P:x P:x P:y D:xy D:z2 P:z D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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="26">1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 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="26">24 18 87 29 30 34 20 4 20 4 28 29 43 18 77 54 38 1 31 29 54 19 19 47 21 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O W O O O O W W W W O O O W 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">-10.255</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="19">4.82 2.65 2.48 2.47 2.07 2.07 1.80 1.62 1.57 1.50 1.41 1.30 1.14 1.12 1.10 1.09 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y D:z2 P:x D:xy P:z P:x P:z D:xy P:x P:x P:z P:x D:x2-y2 D:xy P:z D:yz D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-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 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">30 29 21 53 3 33 100 77 17 27 48 81 42 2 7 28 6 1 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O W O W O O O W O O O O W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.239</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="23">2.44 2.40 2.38 2.06 1.97 1.93 1.89 1.83 1.82 1.57 1.53 1.45 1.43 1.35 1.33 1.26 1.20 1.19 1.16 1.16 1.10 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:z P:z P:x P:x P:x P:z P:z P:y D:yz P:y P:z D:yz P:y D:xy P:z P:z P:z D:yz P:x P:z D:yz D:z2 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 -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 -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 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">72 84 64 62 70 80 74 69 17 88 67 16 60 9 76 68 93 12 95 82 11 10 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O W O O W O W O O O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.232</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="21">6.23 5.56 4.33 3.30 2.32 2.16 2.07 2.03 1.93 1.77 1.58 1.57 1.46 1.23 1.20 1.19 1.10 1.07 1.04 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:x D:z2 P:y D:z2 P:y P:x P:y P:z P:x P:z P:y D:xy P:x P:z P:y P:y D:yz P:x D:z2 D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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="21">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 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">97 6 53 18 87 46 37 100 24 44 47 21 100 81 55 41 21 47 3 6 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O W O W O O O O O O O W 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">-10.213</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="24">3.77 3.33 3.21 2.52 2.25 2.11 2.01 1.88 1.87 1.75 1.72 1.59 1.49 1.36 1.32 1.32 1.31 1.30 1.27 1.27 1.25 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y D:xy D:xy P:x P:y P:z D:xz P:x P:z D:yz P:z D:yz P:x P:y P:y P:x D:x2-y2 D:yz D:xy D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -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="24">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">76 63 74 16 17 80 61 76 12 68 98 14 60 11 94 62 89 83 7 17 15 17 101 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O W W O O O W O O W O W O O O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.193</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="27">5.02 4.89 3.67 2.57 2.55 2.38 2.37 2.35 2.07 2.03 1.92 1.87 1.84 1.75 1.65 1.54 1.51 1.45 1.45 1.44 1.44 1.35 1.18 1.13 1.10 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:y D:xy D:xz D:xy P:z D:xz P:y D:xz P:y D:xy 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:y D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">61 92 14 15 10 94 9 63 7 79 12 66 90 88 82 99 78 93 90 66 80 95 68 69 12 67 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W W W O W O W 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">-10.175</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">2.37 2.22 2.19 2.09 1.89 1.82 1.75 1.63 1.54 1.53 1.53 1.52 1.45 1.42 1.41 1.36 1.34 1.28 1.23 1.15 1.10 1.08 1.07 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:yz P:y D:xz P:x D:xz P:x P:y P:y D:xy P:z P:x P:y P:z P:z P:z P:x P:x P:x P:z P:z P:x D:x2-y2 D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">5 22 27 3 43 4 40 23 85 20 49 36 35 74 44 62 70 28 55 40 52 32 17 14 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W O W O W O O O W O O O O O O O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.153</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="22">3.45 2.21 2.10 2.03 1.73 1.42 1.33 1.31 1.27 1.27 1.20 1.20 1.18 1.17 1.17 1.17 1.16 1.11 1.10 1.07 1.07 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:x D:yz P:z P:y P:y P:y P:z P:z P:z P:z D:xy D:xy D:yz D:yz D:x2-y2 P:x P:y P:x D:xz P:x D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               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 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">62 13 62 27 25 92 92 66 56 88 9 8 8 22 13 43 95 28 4 70 14 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O W O O O O O O O O W W W W W O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.150</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="28">2.85 2.61 2.45 2.36 1.98 1.81 1.81 1.81 1.68 1.50 1.50 1.46 1.39 1.38 1.35 1.31 1.30 1.25 1.22 1.21 1.19 1.18 1.15 1.14 1.11 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z D:xy P:z P:z P:y D:xy P:y P:x D:z2 D:xy P:x D:xy D:xz P:z P:x P:y D:x2-y2 P:y D:yz D:z2 P:z P:y P:z P:z P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">81 27 5 86 41 45 2 77 33 6 21 77 18 22 54 49 85 21 96 4 19 57 41 100 53 38 20 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O W O O O W O O W W O W W O O O W O W W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.119</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">241</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">2.66 2.31 2.13 2.12 1.81 1.62 1.61 1.39 1.34 1.31 1.28 1.26 1.26 1.20 1.15 1.12 1.08 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:x P:y P:x P:y P:x P:y P:y D:x2-y2 P:x P:y P:x P:y D:xz D:z2 D:z2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">75 60 56 62 58 68 25 59 80 13 71 72 66 25 8 8 12 99 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O W O O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">242</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">3.25 2.78 2.00 1.84 1.84 1.82 1.64 1.51 1.41 1.33 1.30 1.28 1.26 1.23 1.22 1.16 1.16 1.09 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 P:z P:z P:z P:z D:xz D:xy P:y P:y P:y P:z P:x P:x P:y D:xz P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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="19">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">39 39 23 87 46 22 5 49 42 60 34 49 43 81 4 48 53 77 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O W 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">-10.097</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="25">4.65 3.98 3.91 3.39 3.04 3.02 2.95 2.90 2.79 2.67 2.50 2.28 1.90 1.74 1.69 1.68 1.65 1.50 1.43 1.38 1.09 1.06 1.04 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:z P:y P:y P:y P:x D:yz P:z P:x P:x P:z P:z P:y D:z2 P:x P:y P:x D:x2-y2 P:y P:x P:x P:y P:x D:yz 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 -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 -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 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 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">24 96 54 31 36 100 6 31 30 53 33 37 97 3 41 30 34 20 37 33 36 85 52 20 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W O O O O O O W O O O W O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.076</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="32">3.05 2.95 2.66 2.57 2.52 2.45 2.16 2.09 1.92 1.90 1.89 1.86 1.83 1.70 1.63 1.55 1.53 1.47 1.45 1.42 1.40 1.35 1.28 1.22 1.19 1.18 1.16 1.14 1.12 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z D:xz P:y P:z P:x D:xy P:z P:x P:x P:x P:x P:x P:y P:x D:xz P:x D:xy P:x D:xz P:x D:x2-y2 P:y P:x D:xz P:y P:x D:xy P:z P:x P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               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 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">66 14 75 75 25 12 61 58 90 63 83 92 95 91 8 79 17 56 15 71 13 63 61 10 98 88 9 92 70 94 8 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W O O O W O O O O O O O O W O W O W O W O O W O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">245</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">2.91 2.90 2.69 2.43 2.28 2.18 2.18 1.85 1.81 1.64 1.64 1.59 1.54 1.52 1.52 1.49 1.36 1.27 1.26 1.25 1.24 1.10 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:y D:xy D:yz D:yz P:z P:x P:y P:y D:x2-y2 D:yz P:z D:yz P:z P:y P:z P:y P:z P:z P:y P:y P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">29 29 86 2 5 19 45 27 33 35 20 22 29 2 52 34 49 27 54 53 23 96 31 55 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O W W W O O O O W 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">-10.033</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="18">4.36 3.51 3.12 3.09 3.01 2.88 2.78 2.74 2.55 2.36 2.31 2.10 1.90 1.57 1.53 1.42 1.23 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:yz P:z P:y P:z P:y P:z P:z P:y D:yz P:y D:z2 P:x P:y D:x2-y2 P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-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 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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="18">16 11 72 89 67 88 80 60 72 15 60 10 72 69 10 25 80 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W O 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">-9.991</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="22">2.45 2.02 2.01 1.95 1.76 1.68 1.66 1.57 1.43 1.42 1.41 1.27 1.26 1.25 1.24 1.22 1.15 1.11 1.10 1.09 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y D:xy P:y D:xy P:x P:y P:z P:z P:z P:x P:x P:x P:y P:x P:x P:x D:xz P:y P:y P:x P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="22">1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">26 5 63 14 42 66 71 94 57 51 49 70 68 72 84 64 9 48 56 69 84 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O W O W O 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">-9.988</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="19">2.87 1.96 1.85 1.71 1.65 1.54 1.41 1.33 1.30 1.29 1.26 1.22 1.20 1.17 1.16 1.08 1.06 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:y P:z P:x D:z2 P:x D:xz P:z D:yz P:x D:xy P:z P:z P:y P:y P:x P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -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="19">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 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">57 94 26 97 23 19 46 9 36 2 69 14 99 86 63 96 93 95 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O W O W O W O W O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.960</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">249</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.29 3.65 3.53 3.12 3.01 3.00 2.95 2.93 2.92 2.71 2.21 1.74 1.66 1.65 1.56 1.44 1.44 1.43 1.37 1.28 1.21 1.19 1.18 1.11 1.08 1.06 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy P:x P:x P:x D:z2 P:x D:xz P:z P:y P:x P:x P:z D:yz P:z P:y P:x P:y P:y P:x P:z P:y D:yz P:y P:x D:x2-y2 P:z P:z P:z</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 -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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">16 76 84 91 8 89 11 25 59 80 51 91 13 79 56 59 65 90 65 59 91 12 58 58 7 68 101 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W O O O W O W O O O O O W 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">-9.949</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="26">3.10 3.05 3.02 2.94 2.80 2.69 2.64 2.49 2.18 2.11 2.09 1.84 1.83 1.83 1.81 1.77 1.59 1.53 1.42 1.41 1.38 1.28 1.27 1.14 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:z P:z D:xz P:x D:xy D:xy D:xz P:x P:x P:y P:y P:z P:x D:x2-y2 P:y D:x2-y2 P:z P:y P:z P:z P:x P:z D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">30 23 46 24 22 29 5 3 20 49 31 42 32 55 42 19 26 2 57 47 50 86 87 30 5 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W O W W W O O O O O O 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">-9.916</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="29">4.06 3.92 3.47 3.05 2.64 2.58 2.37 2.13 2.03 2.03 2.00 1.99 1.82 1.73 1.69 1.64 1.63 1.48 1.48 1.42 1.41 1.32 1.32 1.30 1.28 1.22 1.22 1.16 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:x D:x2-y2 P:x P:x P:x D:xy P:z P:z D:xz P:x P:x D:x2-y2 P:y P:y P:y P:y P:z D:xz P:y D:z2 P:z P:z P:y P:z P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-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 -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="29">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 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="29">30 24 55 18 24 48 87 1 29 30 3 32 36 20 29 41 96 27 32 18 31 3 37 41 77 54 31 33 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O W O O O W O O W O O W O O O O O W O W O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.892</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="20">4.71 3.58 2.72 2.56 2.49 2.48 2.39 1.94 1.66 1.46 1.39 1.28 1.25 1.25 1.19 1.17 1.16 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:y P:z P:y P:z P:y P:z P:x D:z2 P:z P:x P:x P:y P:y P:z D:yz P:x P:z D:xz 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 -4.492 -9.089 -9.089 -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="20">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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">53 34 97 37 36 52 35 96 5 40 29 33 96 30 42 3 27 74 21 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W O O O O O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.861</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="20">4.11 2.37 2.25 2.17 2.09 1.92 1.91 1.66 1.62 1.58 1.48 1.46 1.35 1.34 1.16 1.16 1.16 1.15 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x D:z2 P:y P:z P:z P:z P:y P:x P:x P:y P:z P:z D:z2 P:x D:x2-y2 P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -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="20">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">40 94 7 62 40 68 62 64 61 100 88 74 90 15 67 12 70 58 99 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">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">-9.843</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="18">9.90 3.46 3.39 3.12 2.27 1.97 1.83 1.82 1.69 1.66 1.52 1.11 1.11 1.10 1.09 1.03 1.01 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:x P:y P:z P:x P:y P:z P:z P:y D:z2 P:z D:xz P:y P:y P:x P:y P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -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 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">40 68 40 63 99 79 99 101 7 60 15 78 40 72 62 64 94 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O W O W O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.834</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="21">5.77 2.14 1.72 1.53 1.43 1.39 1.35 1.33 1.26 1.22 1.18 1.15 1.15 1.15 1.11 1.11 1.10 1.09 1.09 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z P:x P:z P:z P:x D:z2 P:y P:z D:xy P:y P:y P:x P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">100 53 40 35 99 96 8 68 56 20 26 64 55 62 34 74 72 49 90 91 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W O O W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.827</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="29">3.19 2.93 2.59 2.23 2.00 1.75 1.74 1.62 1.46 1.45 1.39 1.35 1.33 1.33 1.32 1.32 1.23 1.21 1.21 1.20 1.18 1.13 1.13 1.11 1.07 1.07 1.03 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:xz P:x P:z P:x P:z P:x P:z P:y P:x P:z P:z P:y P:y P:z P:z P:y P:y D:xz P:z D:yz P:x P:y D:xy P:x P:y D:xy 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">32 3 54 27 40 81 36 33 81 100 34 31 52 27 46 36 86 28 104 57 5 23 35 19 55 31 20 50 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O W O O O O O O O O O O O O O O O O Tc 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">-9.803</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="29">5.56 4.38 3.77 3.43 3.19 2.48 2.38 2.20 2.07 1.95 1.81 1.70 1.70 1.60 1.35 1.32 1.31 1.26 1.25 1.20 1.19 1.18 1.18 1.13 1.08 1.08 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:y P:z P:x P:z P:x P:z P:x P:y P:z D:xy P:x P:y P:z P:x P:x P:y P:z P:z P:x P:z P:x P:x D:yz D:yz P:z D:xz 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 -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 -4.492 -4.492 -9.089 -4.492 -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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">60 72 60 61 68 51 72 92 99 61 15 84 68 99 91 79 93 59 58 68 98 66 90 12 7 89 10 92 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O W O O O O O O O O O O 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">-9.757</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="27">6.44 3.74 3.19 2.93 2.48 2.30 2.22 2.05 1.88 1.84 1.74 1.54 1.52 1.51 1.50 1.49 1.48 1.44 1.40 1.37 1.29 1.15 1.13 1.12 1.10 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:y P:x P:x P:y P:z P:x P:y P:x P:x D:z2 P:z P:x D:xz P:x P:z P:x P:x D:xy P:y P:z P:x P:x D:z2 D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">74 60 76 76 84 68 99 92 65 65 62 10 62 72 16 58 69 71 99 11 101 65 95 59 14 9 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O W O O W O O O O W O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.732</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">6.14 5.41 5.03 3.99 3.61 3.22 2.56 2.38 2.34 2.12 2.01 1.93 1.66 1.61 1.51 1.50 1.48 1.47 1.20 1.20 1.17 1.15 1.08 1.06 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:z P:z P:y P:x P:z P:y P:z P:x P:z P:x P:x P:z P:z P:y P:x P:x D:x2-y2 P:x P:y D:z2 D:xz P:y D:z2 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 -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="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 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="25">27 27 53 38 32 52 35 87 50 38 55 47 35 47 48 30 33 21 44 29 18 5 34 1 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O 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">-9.725</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="22">6.73 5.80 4.56 3.59 2.67 2.53 2.45 2.35 2.18 1.70 1.68 1.56 1.52 1.44 1.34 1.31 1.30 1.30 1.14 1.13 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:z P:x P:x P:x P:y P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">34 37 52 97 35 38 53 100 42 85 74 85 46 26 96 27 39 39 81 36 55 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.708</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">6.87 3.34 3.08 2.98 2.87 2.77 2.68 2.49 2.41 2.31 2.01 1.84 1.80 1.63 1.50 1.44 1.40 1.37 1.34 1.34 1.23 1.21 1.19 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:y P:x P:z P:z P:x P:z P:x P:x P:x P:z P:z P:y P:z P:x P:z P:x P:y P:z P:x P:y P:y P:z D:z2 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 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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">62 64 94 64 62 93 82 66 95 98 69 99 60 88 90 83 76 78 56 79 99 76 67 15 63</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.693</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">2.69 2.43 2.05 1.73 1.62 1.61 1.60 1.57 1.57 1.47 1.44 1.41 1.34 1.30 1.27 1.23 1.22 1.21 1.19 1.16 1.08 1.04 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:z P:x P:y P:x P:x P:y P:z P:x P:z P:x P:x P:y P:x P:x P:x P:x P:z P:z P:y P:z D:z2 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 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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">81 41 46 81 42 43 86 85 80 88 36 55 77 61 85 96 67 87 91 86 43 42 89 4 41</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.682</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="17">4.96 3.10 2.24 2.06 1.75 1.73 1.72 1.55 1.53 1.47 1.44 1.31 1.18 1.15 1.12 1.10 1.09</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:z P:x P:x P:z P:x P:y D:xy P:x P:y P:x P:y P:y 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 -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="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">42 46 49 43 44 28 23 77 25 5 94 85 63 49 98 22 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.672</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="17">6.89 5.94 5.75 4.21 3.76 3.69 2.18 1.76 1.71 1.60 1.48 1.32 1.30 1.22 1.20 1.14 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">P:z P:z P:x P:x P:x P:z P:y P:z P:z P:y P:z P:y P:x P:z P:y P:x 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">70 74 84 51 94 58 83 91 75 98 84 37 78 99 63 93 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.640</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="26">5.21 4.20 3.07 2.90 2.54 2.03 1.96 1.81 1.80 1.74 1.74 1.73 1.53 1.51 1.51 1.50 1.47 1.46 1.31 1.30 1.26 1.25 1.24 1.09 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:z P:z P:y P:x P:x P:z P:y P:x P:z P:y P:y P:z P:y P:x P:x D:xy P:x P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">95 61 82 59 58 69 66 94 101 90 93 91 76 56 93 60 76 92 9 78 70 62 79 89 61 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O 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">-9.631</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="22">4.21 3.19 2.43 2.43 2.37 2.31 2.11 1.83 1.56 1.51 1.39 1.38 1.34 1.31 1.23 1.21 1.16 1.12 1.11 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:z P:x P:z P:y P:y P:y P:z P:z P:x P:z P:x P:z D:xz P:y P:y P:x P:y 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 -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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">53 100 97 44 42 46 34 100 30 100 24 44 81 33 4 24 55 38 27 32 36 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.622</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="17">3.69 2.21 2.19 2.10 2.00 1.82 1.70 1.61 1.54 1.39 1.37 1.31 1.29 1.22 1.06 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:y P:x P:x P:x P:y P:z P:y P:z P:y P:y P:z P:z P:z P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -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">100 96 23 77 63 45 46 42 41 85 56 86 74 89 55 40 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.618</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="21">4.36 4.10 2.06 1.69 1.64 1.50 1.46 1.41 1.39 1.35 1.33 1.27 1.27 1.21 1.13 1.10 1.10 1.08 1.08 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:x P:y P:z P:x P:z P:z P:y D:xz P:z P:y P:x P:x P:y P:x P:x P:x P:z P:x P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">80 66 90 70 95 79 74 37 14 97 78 98 26 45 84 92 63 58 43 48 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O 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">-9.598</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="29">2.30 2.30 2.30 2.27 2.06 2.02 1.94 1.91 1.74 1.68 1.59 1.58 1.54 1.39 1.38 1.36 1.34 1.30 1.19 1.11 1.11 1.11 1.10 1.10 1.07 1.05 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:x P:z P:z P:x P:z P:z P:x P:x P:x P:x P:y P:y P:x P:x P:y P:x P:x P:z P:x P:y P:x D:z2 P:z D:xy 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">99 28 57 23 69 40 100 45 73 100 63 23 96 68 66 81 101 94 85 70 71 37 93 22 40 21 61 100 88</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 W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.594</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="18">4.61 3.13 2.47 2.31 2.31 2.24 2.15 1.99 1.84 1.75 1.70 1.54 1.51 1.42 1.26 1.21 1.18 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:x P:z P:x P:x P:z P:x P:y P:x P:x P:x P:x P:z 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">71 57 74 26 28 46 92 83 100 76 63 81 28 83 94 99 77 68</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">-9.572</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="19">4.72 3.91 2.78 2.32 2.31 2.05 1.83 1.81 1.62 1.53 1.53 1.53 1.22 1.19 1.16 1.16 1.09 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:z P:x P:x P:x P:z P:z P:x P:x P:x P:x P:y P:x P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">71 83 74 100 92 42 58 92 76 77 28 26 75 57 89 59 70 89 36</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">-9.550</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="28">5.57 3.48 3.45 3.17 3.16 3.11 2.59 2.28 1.97 1.82 1.81 1.76 1.62 1.60 1.59 1.56 1.50 1.43 1.43 1.32 1.29 1.14 1.12 1.11 1.11 1.08 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:x P:y P:x P:x P:z P:y P:z P:z P:x P:y P:x D:xz D:z2 D:xy P:y P:y P:z P:x 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="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 -4.492 -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="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 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">100 46 44 42 23 85 46 36 100 37 49 45 97 22 6 5 39 34 97 55 36 30 50 27 39 57 49 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O W W W O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.522</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">4.63 4.08 3.07 2.17 1.75 1.68 1.56 1.49 1.44 1.43 1.42 1.24 1.23 1.23 1.23 1.02 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:y P:x P:z P:x P:y P:z P:x P:y P:y P:y P:x P:z P:y D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">40 56 100 40 70 68 88 71 75 66 49 88 99 36 14 96 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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.488</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="26">5.49 4.89 3.83 2.76 2.64 2.59 2.15 1.96 1.95 1.94 1.77 1.67 1.64 1.47 1.38 1.34 1.34 1.29 1.27 1.19 1.16 1.14 1.11 1.07 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:z P:y P:x P:z D:z2 P:x P:y P:z D:z2 D:xz P:y P:y P:z P:z P:y P:x P:x D:yz P:z P:x P:x P:x 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 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">74 74 25 71 58 89 8 89 68 65 11 10 51 64 99 94 63 94 65 17 76 76 73 67 92 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O O O W W 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">-9.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">275</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.08 2.87 2.63 2.62 2.49 2.36 2.30 2.30 2.27 2.20 1.98 1.89 1.87 1.78 1.75 1.59 1.57 1.41 1.36 1.28 1.27 1.22 1.19 1.16 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:y P:z D:yz P:y P:y P:y P:y P:z P:z P:x P:y P:z P:z P:x D:yz D:xz P:x P:y P:z P:x P:x D:xy D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -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 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">46 36 104 81 36 96 30 96 85 33 44 54 42 43 6 4 24 48 24 54 42 21 6 43 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O Tc O O O O O O O O O O O W W O O O O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.446</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="27">4.76 3.88 3.33 3.24 2.56 2.47 2.43 2.36 2.23 2.14 2.11 2.03 1.73 1.47 1.45 1.44 1.43 1.33 1.29 1.26 1.21 1.20 1.15 1.15 1.13 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:x P:x P:x P:z P:x P:y P:y P:z P:z P:y P:z P:x P:z P:x S P:y P:z P:y P:z P:x D:yz P:z D:xz 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 -5.054 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 2.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">75 58 89 61 92 79 73 79 71 25 84 90 56 71 91 79 105 59 70 80 59 59 13 90 11 72 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 Tc O O O O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.420</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="16">4.45 4.27 3.83 3.04 2.20 2.10 1.65 1.42 1.40 1.29 1.29 1.23 1.19 1.13 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:x P:x P:z P:x P:x P:x P:z P:x P:y P:y P:x S P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">48 87 46 39 28 57 42 43 41 26 41 77 31 104 44 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.397</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="26">2.73 2.72 2.49 2.47 2.26 2.12 2.12 2.05 1.89 1.86 1.85 1.82 1.79 1.78 1.72 1.55 1.51 1.36 1.36 1.32 1.31 1.30 1.25 1.10 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:x P:z P:z P:z P:y P:z P:x P:x D:z2 P:z P:y P:z P:x P:y P:z D:xz P:x P:y P:y P:z D:yz P:x 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 -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 -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 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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">83 71 72 58 70 98 51 69 94 66 14 65 71 99 89 98 63 7 68 58 101 66 17 101 93 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O W 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">-9.386</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="17">1.75 1.66 1.57 1.52 1.45 1.37 1.28 1.23 1.23 1.13 1.08 1.08 1.06 1.03 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y D:x2-y2 P:z P:y P:y P:z P:y P:y P:z P:x D:xy P:y P:x P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               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 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">61 2 92 79 93 55 68 72 48 37 15 81 45 80 51 42 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O W 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">-9.385</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">280</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">2.85 1.87 1.75 1.65 1.64 1.56 1.30 1.28 1.19 1.18 1.17 1.13 1.08 1.07 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">D:x2-y2 P:y P:x P:y P:z P:x P:y P:z P:x P:x P:x P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               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 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">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="15">2 61 45 45 43 37 95 92 65 36 59 90 98 91 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-9.359</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">6.68 5.70 3.54 3.09 2.52 2.21 2.19 2.07 2.04 2.03 1.90 1.79 1.60 1.48 1.46 1.42 1.35 1.27 1.11 1.08 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:z D:z2 P:y P:x P:x D:xz P:x P:x P:x P:y D:xy P:y P:z P:z P:z P:x P:x D:xy P:x D:xz</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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">86 81 43 19 45 46 43 4 96 23 42 95 21 55 55 32 57 36 81 5 49 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O W O O O O W O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.342</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="18">4.72 3.50 3.30 2.51 2.46 2.32 2.26 2.04 1.60 1.60 1.43 1.42 1.33 1.30 1.30 1.22 1.22 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:y P:x P:x P:z P:z P:z P:x P:y D:xz P:y P:z P:z P:x D:x2-y2 P:z P:y 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 -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="18">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="18">90 95 66 95 25 66 74 89 67 11 80 48 79 86 14 90 79 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">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">-9.338</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="24">4.10 3.54 3.52 3.14 2.76 2.16 2.04 1.99 1.78 1.77 1.77 1.70 1.69 1.65 1.45 1.39 1.33 1.25 1.22 1.20 1.15 1.09 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:y P:y P:z P:x D:x2-y2 P:y P:y P:y D:z2 D:z2 P:z D:yz P:y P:y P:y P:y D:xz P:z P:y P:x P:x D:z2 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 -4.492 -9.089 -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 -4.492 -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 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">45 55 87 81 86 20 43 23 31 18 21 49 5 57 35 45 32 19 38 34 34 53 4 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W O O O W W O W 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">-9.325</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="19">4.58 3.59 3.35 3.34 3.24 3.07 2.45 2.40 1.73 1.57 1.56 1.51 1.35 1.33 1.28 1.20 1.11 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:y P:x P:y P:z P:x P:z P:y P:z P:x P:y P:x P:x P:z P:x P:z P:x D:xz 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 -4.492 -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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">81 77 87 87 86 48 49 43 28 48 42 55 23 96 66 53 18 32 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.314</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="24">8.65 6.68 2.33 1.96 1.94 1.76 1.74 1.69 1.68 1.68 1.66 1.65 1.63 1.47 1.47 1.38 1.22 1.18 1.14 1.10 1.05 1.04 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:y P:z P:y P:y P:z D:xz P:x P:y D:x2-y2 P:z P:x P:x D:z2 D:z2 P:x P:z P:z P:y P:x P:x D:xy 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">79 90 80 87 48 7 25 56 12 89 64 90 7 12 63 68 72 72 28 94 12 90 99 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W O O W O O O W W O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.288</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="29">2.62 2.48 2.47 2.35 2.12 2.11 2.00 1.99 1.92 1.77 1.76 1.74 1.48 1.44 1.43 1.41 1.32 1.30 1.26 1.23 1.20 1.18 1.18 1.14 1.07 1.04 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:y P:y P:x P:y P:z P:z P:y P:z P:y P:z P:y P:z P:z P:z P:y P:y P:y D:xy P:z D:yz D:yz P:x P:z P:y P:z D:yz 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 -4.492 -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="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 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="29">23 56 43 80 55 81 48 87 49 67 88 74 43 79 52 49 35 53 16 87 4 22 25 66 48 80 21 100 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O W O W 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">-9.284</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="28">6.06 5.61 5.23 3.83 3.82 2.82 2.34 2.16 2.10 2.07 1.95 1.93 1.86 1.68 1.64 1.38 1.35 1.35 1.34 1.32 1.28 1.25 1.23 1.21 1.16 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:x P:x P:z P:y D:yz D:xy D:xy P:y P:y D:z2 P:z P:x P:x P:y P:z P:z P:y P:z D:yz P:z P:x D:xz D:yz P:y D:x2-y2 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 -4.492 -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 -4.492 -4.492 -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 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">88 67 90 79 79 56 15 12 7 66 90 7 25 66 64 89 72 90 88 95 10 66 95 12 12 69 8 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O W W W O O W O O O O O O 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">-9.280</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">288</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.00 2.95 2.69 2.31 2.16 1.97 1.86 1.76 1.74 1.56 1.54 1.49 1.39 1.37 1.15 1.14 1.13 1.05 1.04 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:x P:x P:y P:z P:y P:z P:x P:z P:y P:x P:x P:x P:x P:z D:xy P:z P:z D:x2-y2 P:z D:x2-y2</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 -4.492 -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 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">87 48 66 80 74 48 66 66 25 87 86 90 45 62 83 45 16 55 80 8 25 20</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 W O O W 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">289</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.08 5.93 5.01 4.18 3.97 3.53 3.29 2.43 2.18 2.14 1.97 1.88 1.81 1.79 1.69 1.65 1.64 1.52 1.52 1.50 1.46 1.41 1.38 1.16 1.13 1.09 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:z D:z2 P:x P:y P:z P:x P:z P:x D:xy D:z2 D:yz P:x P:y D:yz D:yz P:y P:z P:y D:yz P:x P:y P:z 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 -4.492 -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 -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="28">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 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="28">43 81 48 18 87 87 23 48 49 81 1 1 21 23 27 5 22 55 87 49 4 32 38 34 55 32 38 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O W O O O O O O W W W O O W W O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.87 3.52 3.37 2.58 2.28 1.85 1.67 1.62 1.58 1.52 1.51 1.51 1.49 1.34 1.34 1.32 1.31 1.30 1.21 1.19 1.17 1.09 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:y P:x P:y P:z P:x P:z P:z P:y D:xy P:x P:y D:z2 P:x P:x D:xy P:x P:y D:yz D:xz 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">45 86 66 25 49 23 32 43 55 48 14 55 87 22 23 54 19 95 25 2 20 33 79 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O W O O W O O W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.259</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="22">3.77 3.28 3.20 3.09 2.88 2.49 2.26 2.12 1.97 1.79 1.67 1.60 1.56 1.54 1.53 1.39 1.37 1.36 1.24 1.18 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:y P:z P:x P:z P:y P:x D:xy D:yz D:xy P:z P:x P:z P:y D:xz P:z P:x P:z 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 -4.492 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">66 56 56 95 25 25 14 13 8 25 95 100 49 9 45 80 79 66 23 56 23 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W W W O O O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.254</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="23">4.36 3.96 3.48 2.29 2.05 1.97 1.93 1.90 1.80 1.78 1.66 1.45 1.43 1.40 1.39 1.31 1.30 1.26 1.18 1.15 1.13 1.10 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:y P:z P:x D:xz P:x D:x2-y2 P:x P:z D:x2-y2 P:z P:z P:y P:z P:z P:x P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">56 95 66 88 14 28 9 32 100 13 95 48 89 80 51 79 70 45 66 81 43 62 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O W O O W O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">293</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.24 5.18 4.85 3.89 3.34 3.09 2.54 2.39 1.77 1.70 1.65 1.59 1.51 1.38 1.37 1.30 1.22 1.20 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">P:y P:x P:x P:y P:y D:xy P:z P:x D:x2-y2 D:x2-y2 P:y P:x P:x P:z D:xy D:xz 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 -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 -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 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">55 48 87 32 86 3 32 31 18 20 45 45 81 87 1 1 29 48 55 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O W O O W W O O O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.235</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="19">8.70 7.25 5.42 5.29 5.02 4.27 3.79 3.39 3.33 2.36 2.21 2.12 2.03 1.48 1.42 1.38 1.16 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:z P:y P:y D:yz P:y D:yz P:z D:z2 P:y P:z P:z P:y P:z D:z2 P:z 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 -4.492 -9.089 -4.492 -9.089 -4.492 -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="19">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 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">80 89 67 90 88 11 79 16 79 10 69 89 101 99 68 15 32 15 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O W O W O W O O O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.214</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="23">5.98 4.64 4.35 3.73 3.06 2.31 2.30 2.21 2.16 2.06 2.02 1.90 1.89 1.87 1.28 1.24 1.22 1.22 1.18 1.14 1.14 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">P:z P:x P:x P:z P:x D:xz P:z P:x P:x D:x2-y2 P:x P:x P:z D:xz D:xy P:x P:y P:y P:y P:x D:xz 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 -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 -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 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">32 88 43 66 36 15 100 32 80 3 86 70 51 4 16 28 95 48 90 77 14 100 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W O O O W O O O W W O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.167</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="22">9.78 7.33 6.20 4.86 4.74 4.15 3.49 2.89 2.84 2.64 2.46 2.07 1.97 1.86 1.48 1.34 1.26 1.25 1.22 1.17 1.14 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:x P:y P:z P:y D:xz D:xy P:z D:xz P:x D:x2-y2 P:x P:z P:y D:xy P:z P:y P:x D:xy D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">95 67 67 74 95 56 9 10 65 10 56 9 80 88 65 9 92 76 65 16 17 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W W O W O W O O O W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.147</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="17">11.67 9.89 5.92 4.56 2.51 2.30 2.17 2.03 2.02 1.88 1.68 1.62 1.36 1.33 1.12 1.09 1.09</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:z P:x P:y P:x P:z P:z D:xy P:x P:x P:y P:x P:z P:y 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 -9.089 -9.089 -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="17">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">80 89 25 88 80 74 66 25 80 16 56 95 56 86 73 49 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O 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">-9.139</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="16">9.60 8.51 8.46 5.05 3.78 3.69 2.88 2.56 2.12 1.90 1.44 1.38 1.30 1.18 1.18 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:z P:y P:x P:y P:y P:x P:x P:z P:x P:z D:xz P:z P:z P:y 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 -4.492 -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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">86 23 49 45 45 55 32 55 43 41 89 19 45 88 81 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.133</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="16">11.80 8.67 7.67 7.50 3.34 3.07 3.00 2.10 1.77 1.62 1.30 1.27 1.18 1.13 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:x P:z P:x P:z P:x P:y P:y P:z P:z P:x D:z2 P:z P:y P:y D:x2-y2</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 -4.492 -9.089 -9.089 -9.089 -4.492</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 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">67 66 88 95 89 25 80 56 67 25 56 9 95 61 82 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.099</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="29">7.65 7.28 4.55 4.34 4.07 3.61 2.48 2.16 2.14 2.04 1.98 1.96 1.86 1.67 1.62 1.54 1.33 1.31 1.29 1.24 1.12 1.12 1.12 1.08 1.03 1.03 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:y P:y P:x P:x P:z P:y P:x P:z P:x P:x P:x P:y P:x P:z P:y D:x2-y2 P:z D:xz P:z P:x D:xy P:x P:z P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 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="29">43 81 49 86 32 23 55 77 81 53 45 55 34 34 32 50 21 26 21 47 28 4 35 31 36 31 53 81 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O W 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">-9.001</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="28">7.54 7.14 5.38 5.16 4.09 4.03 3.96 3.67 3.53 2.95 2.78 2.39 2.06 2.06 1.97 1.86 1.82 1.58 1.51 1.45 1.40 1.34 1.34 1.32 1.27 1.24 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:y P:z D:yz P:z P:z D:yz P:y P:y P:z P:y D:z2 P:y D:z2 P:z P:y P:z P:y P:y P:y D:yz P:z D:yz P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">49 23 34 53 22 48 27 5 27 52 35 43 1 38 18 38 87 33 49 54 29 21 81 4 43 81 81 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O W O O W O O O O W O W O O O O O O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.985</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">5.29 4.58 3.59 3.16 2.59 2.49 2.32 2.27 2.22 2.17 2.02 2.00 1.84 1.63 1.54 1.49 1.46 1.40 1.38 1.36 1.30 1.10 1.09 1.08 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:x P:y P:x P:x P:y P:x P:x P:z P:x P:y D:xy P:y P:z P:x P:y P:z P:z P:z P:y D:xz D:x2-y2 D:yz D:xy D:xy D:x2-y2 P:x 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 -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 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">25 66 94 79 62 90 56 95 63 25 14 95 56 93 79 62 89 29 63 7 9 13 7 8 8 51 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O W O O O O O O O O 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">-8.981</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">5.91 4.07 3.69 3.59 3.29 2.85 2.51 2.25 2.17 2.03 1.68 1.61 1.53 1.49 1.48 1.43 1.35 1.26 1.23 1.23 1.19 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:x P:x P:y P:y P:y P:x P:x D:yz P:x P:z P:y P:z D:xy P:x P:z D:xy P:x P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">29 45 24 33 29 54 30 30 54 2 48 31 97 24 3 34 77 1 25 66 85 55 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O W O O O O W O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.954</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="24">4.19 3.01 2.78 2.02 1.97 1.87 1.81 1.80 1.73 1.72 1.56 1.49 1.45 1.37 1.35 1.35 1.26 1.14 1.11 1.08 1.07 1.06 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:z P:x P:x P:x P:z P:z P:y P:x P:y P:z P:z P:y D:xy P:y P:x P:z P:y P:y P:z D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">60 56 89 70 68 80 64 58 91 51 61 90 61 90 12 79 90 95 87 85 93 11 29 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O W O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.948</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">305</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.79 3.72 3.31 2.83 2.34 1.96 1.77 1.64 1.52 1.51 1.50 1.40 1.38 1.37 1.33 1.30 1.29 1.22 1.21 1.14 1.11 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:x P:y P:y P:z P:x P:x P:y P:x P:y P:y P:x D:yz P:x P:z P:z D:x2-y2 P:x P:z P:y P:x 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 -4.492 -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 0.80 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">85 87 77 29 86 44 60 86 23 33 41 45 24 19 100 43 96 6 28 81 79 81 18 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O W O O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.933</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">306</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.56 2.38 2.34 2.23 1.99 1.91 1.83 1.75 1.72 1.71 1.67 1.45 1.44 1.43 1.38 1.35 1.30 1.29 1.22 1.09 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:x P:z P:y P:z P:z P:x P:y P:x P:z P:z P:x P:x D:xz D:yz P:x P:y P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">61 38 51 89 64 64 29 66 29 70 74 84 60 35 12 17 91 25 88 48 30 52</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 W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.924</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="23">5.85 3.63 2.42 2.20 2.08 2.01 1.87 1.69 1.60 1.57 1.51 1.50 1.34 1.33 1.25 1.21 1.19 1.13 1.11 1.09 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">P:x P:z P:x P:x P:y P:y P:z P:z P:z P:x P:z P:y P:y P:z D:yz D:xy D:xy P:y D:xz P:z D:yz 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 -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="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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="23">38 29 35 52 28 57 77 64 24 60 89 29 64 26 17 6 4 44 1 61 6 30 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O W 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">-8.891</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="21">9.13 7.76 6.43 4.90 4.87 4.82 3.55 3.30 2.89 2.84 2.76 2.56 2.52 2.48 2.43 2.37 2.02 1.98 1.95 1.68 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:z P:y P:z P:y P:z P:y D:z2 P:y D:yz P:y D:yz D:z2 D:z2 D:yz P:z P:z P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -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 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">90 88 80 79 67 89 99 68 10 67 15 60 11 7 12 16 69 60 101 79 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W O W O W W W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.878</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="25">5.73 2.92 2.55 2.40 2.20 2.03 1.94 1.89 1.82 1.74 1.70 1.63 1.58 1.40 1.32 1.28 1.26 1.25 1.23 1.12 1.11 1.05 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:z P:x P:x P:z P:y P:y P:x P:x P:y P:z P:x P:x P:x P:y P:y P:z P:x P:x P:x P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">39 75 50 86 66 87 47 49 95 45 48 25 41 82 78 56 75 43 23 32 55 73 67 88 90</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">-8.863</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">5.61 5.46 4.66 4.22 4.00 2.86 2.67 2.63 2.17 2.12 2.02 1.91 1.79 1.45 1.34 1.34 1.32 1.23 1.13 1.09 1.07 1.06 1.05 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:x P:x P:y P:y P:z P:z P:x P:x P:z P:x D:yz P:z P:y D:z2 D:yz P:z P:z P:x D:z2 D:z2 P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -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="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">87 48 45 86 55 36 54 96 33 34 32 24 53 20 87 30 3 3 29 42 52 20 19 32 35 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O W O O W W 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">-8.822</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="24">5.70 5.14 4.71 4.51 4.23 2.93 2.52 2.13 1.83 1.63 1.61 1.53 1.49 1.48 1.36 1.35 1.25 1.25 1.22 1.17 1.17 1.15 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:y P:z P:x P:y P:x D:z2 P:x P:y D:xz P:z P:y P:z P:x P:z D:x2-y2 P:z D:xy D:xy P:y P:x P:x 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -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 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">55 32 45 48 86 87 2 24 80 1 31 31 88 30 32 19 86 19 3 67 25 33 97 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O W 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">-8.802</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="23">4.23 3.68 3.55 2.48 2.29 2.28 2.13 2.03 1.96 1.78 1.69 1.60 1.53 1.52 1.40 1.29 1.28 1.20 1.19 1.11 1.07 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:z P:z P:y P:y P:x P:x P:z P:y P:z P:x P:x P:x P:x P:x P:y P:x D:z2 P:x P:x P:x 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 -4.492 -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 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">80 88 89 67 73 25 67 45 32 55 95 66 82 88 78 86 56 2 101 69 80 82 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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">313</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">6.45 4.55 4.40 4.07 3.63 3.61 2.63 2.39 2.12 1.99 1.98 1.94 1.78 1.56 1.55 1.34 1.34</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:y P:x P:z P:z P:y P:x P:z P:x P:y P:z P:z P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">90 78 79 73 82 79 75 82 58 39 56 88 40 56 88 74 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.777</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="22">5.62 4.48 4.45 4.23 3.77 3.33 3.15 3.09 2.97 2.58 2.10 2.02 1.95 1.44 1.39 1.28 1.23 1.21 1.21 1.19 1.13 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:x P:y P:x P:z P:z P:x P:y P:z P:z P:x P:z P:x P:y P:x P:y P:y P:x P:x P:x D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</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 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">47 50 48 55 41 87 32 41 48 50 100 23 87 87 81 32 55 42 47 46 106 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O 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">-8.757</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="27">4.75 2.99 2.64 2.57 2.49 2.47 2.43 2.14 2.02 1.97 1.96 1.81 1.63 1.63 1.53 1.52 1.50 1.46 1.35 1.26 1.24 1.23 1.15 1.10 1.07 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:z P:x P:z P:x P:x P:x P:x P:x P:x P:x P:z P:y P:x P:x P:x P:z P:x P:z P:x P:x P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">73 39 66 75 67 88 40 55 32 89 88 75 95 80 88 80 41 86 66 78 78 81 45 56 89 82 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.744</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="25">5.54 4.03 2.81 2.71 2.61 2.34 2.21 2.14 1.92 1.79 1.77 1.66 1.33 1.29 1.28 1.26 1.23 1.23 1.17 1.16 1.13 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">P:z P:z P:z P:z P:y P:y P:y P:y P:z P:y P:y P:y P:y P:z P:y P:x P:y P:x P:x P:x P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">67 99 69 79 101 68 89 74 23 84 49 60 72 90 67 50 75 55 86 32 56 82 43 95 82</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">-8.741</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">4.78 3.05 3.02 2.97 2.68 2.30 1.89 1.71 1.68 1.52 1.46 1.36 1.33 1.32 1.28 1.20 1.15 1.13 1.11 1.11 1.09 1.09 1.09 1.07 1.04 1.03 1.01 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:x P:y P:z P:z P:z P:z P:y P:y P:y P:z P:x P:z P:y P:y P:x P:z P:z P:z P:y P:y P:y P:y P:y P:z P:x P:y D:xy</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 -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 1.33 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="29">32 23 47 49 67 43 99 41 23 81 39 79 45 69 101 52 49 39 27 38 34 68 48 38 89 49 86 27 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">318</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.07 4.91 4.79 4.74 4.42 3.85 3.68 3.02 2.91 2.56 2.42 2.12 2.11 2.02 1.88 1.80 1.78 1.77 1.74 1.64 1.60 1.54 1.41 1.37 1.25 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:y P:y P:y P:z P:y P:y P:z P:z P:y P:y D:xy P:z P:y P:y P:z P:z P:x P:z P:x P:y P:z P:x 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 -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</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 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">53 35 81 34 43 52 87 23 48 49 23 44 49 4 85 38 27 27 38 32 39 34 39 50 47 21</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 O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">319</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">6.88 5.74 4.56 4.55 3.41 3.03 2.72 2.59 2.55 2.55 2.37 2.28 2.20 2.11 2.06 1.92 1.87 1.86 1.86 1.86 1.84 1.80 1.55 1.44 1.42 1.31 1.28 1.24 1.19 1.15 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z P:y P:x P:y P:x P:y P:y P:y P:x P:y P:z P:y P:x P:x P:z P:z P:x P:y P:x P:x P:z P:z P:y P:x P:y P:z P:y D:yz D:xy 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 -4.492 -4.492 -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 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">25 56 56 79 62 94 64 67 98 90 63 62 75 101 93 94 95 63 74 69 98 93 64 60 95 82 25 90 8 13 88</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 W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.682</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">320</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">4.07 2.88 2.68 2.51 2.39 2.34 2.27 2.05 1.67 1.65 1.63 1.61 1.57 1.54 1.42 1.35 1.31 1.23 1.17 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:y P:y P:z P:x P:y P:y P:x P:y P:z P:z P:y P:z P:x P:z P:x 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 -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">80 73 95 74 58 82 90 88 69 78 23 100 66 86 68 47 95 43 101 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.672</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="26">5.10 3.05 3.00 2.67 2.47 2.11 2.09 1.98 1.90 1.90 1.85 1.80 1.74 1.73 1.72 1.48 1.48 1.44 1.41 1.34 1.29 1.27 1.26 1.24 1.17 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:z P:z P:z P:z P:z P:x P:y P:y P:z P:z P:z P:x P:z P:x P:y P:x P:y P:z P:y P:y P:x 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">23 43 96 47 86 48 87 100 86 37 80 49 26 39 32 50 77 90 55 95 41 73 42 42 88 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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.658</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">5.70 4.17 3.58 3.38 3.18 2.96 2.85 2.84 2.76 2.34 2.12 2.06 2.05 2.05 2.04 1.99 1.97 1.88 1.85 1.65 1.53 1.25 1.15 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:x P:y P:z P:y P:y P:y P:y P:y P:x P:z P:y P:y P:y P:y P:x P:y P:y P:y P:x P:z P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">49 36 46 81 97 45 48 50 23 87 44 100 47 96 39 32 28 57 42 41 27 86 57 28 77 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.647</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">323</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.87 4.05 3.53 3.18 3.13 2.99 2.97 2.65 2.42 2.36 2.24 2.20 2.00 1.83 1.80 1.78 1.56 1.44 1.41 1.37 1.36 1.31 1.27 1.23 1.15 1.13 1.12 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:x P:z P:x P:z P:x P:y P:z P:x P:z P:x P:y P:x P:z P:y P:z P:y P:z P:y P:x P:z P:y P:y P:z P:x 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 -9.089 -9.089 -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">58 94 25 79 98 63 93 66 95 63 88 51 90 79 25 94 75 70 78 75 95 67 67 88 91 84 64 98 62</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">-8.630</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="29">9.07 3.39 3.38 3.37 3.20 3.20 3.19 2.72 2.52 2.24 2.18 1.77 1.72 1.71 1.59 1.58 1.57 1.51 1.50 1.50 1.43 1.29 1.24 1.17 1.15 1.11 1.10 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:y P:x P:z P:x P:y P:x P:y P:x P:z P:z P:x P:x P:x P:y P:y P:y P:x P:x P:z P:x P:x P:y P:z P:z P:y P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">71 66 58 51 83 59 65 65 89 56 78 56 92 76 56 62 90 61 25 93 76 74 73 82 67 61 99 94 59</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">-8.591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.72 5.08 4.71 4.51 3.58 3.16 2.88 2.79 2.71 2.60 2.30 2.21 2.01 1.77 1.76 1.66 1.60 1.59 1.59 1.20 1.19 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:z P:x P:x P:x P:x P:z P:z P:x P:y P:y P:y P:y P:z P:z P:x P:z P:z 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">46 28 36 57 42 44 26 23 97 77 49 36 96 42 96 28 85 100 46 65 37 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.577</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="29">6.08 4.88 3.94 3.88 3.17 2.50 2.13 2.12 2.07 2.00 1.69 1.62 1.60 1.56 1.54 1.39 1.35 1.35 1.28 1.22 1.18 1.15 -1.15 1.10 1.10 1.09 1.08 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:y P:z P:z P:x P:x P:x P:z P:y P:y P:x P:y P:y P:z P:x P:y P:y P:x P:y P:z P:z P:y P:y P:x 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 -0.773 -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 0.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">65 71 58 71 92 92 51 76 59 60 83 59 56 101 60 46 65 25 58 91 58 69 105 74 95 80 61 83 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.498</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="33">3.62 2.96 2.55 2.40 2.39 2.34 2.33 2.30 2.29 2.25 2.22 2.20 2.19 2.04 2.03 1.97 1.86 1.80 1.78 1.72 1.72 1.44 1.40 1.33 1.31 1.31 1.23 1.22 1.20 1.17 1.14 1.14 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:y P:x P:x P:z P:y P:z P:z P:x P:y P:z P:z P:x P:y P:z P:y P:y P:x P:x P:z P:y P:x P:z P:x P:z P:y P:z P:z P:z P:x P:y 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">97 26 31 32 44 35 23 57 29 49 34 37 37 85 52 77 33 36 96 46 53 30 24 55 85 24 54 28 38 54 42 27 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.482</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="32">4.83 4.57 3.18 3.12 2.69 2.55 2.44 2.37 2.26 2.25 2.18 2.11 2.06 1.84 1.82 1.81 1.76 1.73 1.64 1.55 1.43 1.41 1.40 1.38 1.33 1.33 1.30 1.28 1.27 1.14 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:z P:x P:y P:y P:y P:z P:z P:y P:z P:y P:y P:x P:z P:x P:z P:z 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:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">70 84 83 76 69 99 68 101 59 88 93 67 64 51 25 72 60 58 91 98 56 71 61 61 62 92 91 63 60 94 72 65</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">-8.392</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="35">7.14 5.38 4.47 3.76 3.19 2.66 2.58 2.50 2.32 2.15 1.84 1.83 1.82 1.79 1.67 1.65 1.48 1.40 1.35 1.33 1.29 1.24 1.22 1.21 1.17 1.17 1.17 1.14 1.13 1.11 1.10 1.08 1.04 1.04 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:z P:x P:y P:y P:x P:x P:z P:z P:x P:y P:y P:x P:x P:y P:z D:x2-y2 P:y P:y P:y P:y P:y P:z P:y P:x P:y P:y P:y P:y P:z P:y D:yz P:x P:x P:z 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 -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 -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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">37 85 45 46 100 43 26 86 81 41 77 53 37 47 45 6 57 48 54 42 50 33 86 34 97 100 96 87 81 85 6 26 44 54 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 W O O O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.380</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">9.26 7.27 6.13 4.72 4.40 3.83 3.13 2.55 2.31 2.04 2.02 1.99 1.92 1.65 1.65 1.49 1.44 1.42 1.40 1.40 1.40 1.27 1.20 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:z P:z P:z P:z P:z P:z P:x P:z P:x P:y P:z D:xz P:y P:z P:z P:x P:z D:z2 P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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 1.33 0.80 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">84 89 70 74 66 91 84 58 82 61 71 69 70 70 17 78 79 73 71 90 17 80 82 63 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O W O O O O O W O O O O</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">331</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.88 5.33 2.60 2.51 2.31 2.27 2.19 2.04 2.01 2.00 1.95 1.67 1.66 1.59 1.57 1.54 1.49 1.43 1.39 1.31 1.17 1.12 1.09 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:z D:xy P:y D:xy P:y P:y P:z P:z P:y P:z P:z P:z P:y P:x D:xz P:x P:z P:z P:x D:xz P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -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 -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 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">42 46 50 22 24 4 36 47 77 33 28 96 40 30 40 23 5 49 24 87 52 21 33 81 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O W O W O O O O O O O O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.288</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="21">9.65 6.57 4.68 2.92 2.73 2.42 1.98 1.93 1.92 1.90 1.75 1.65 1.62 1.61 1.41 1.33 1.15 1.09 1.03 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:x P:z D:x2-y2 D:xy P:x D:yz D:xz P:x P:x P:y P:z P:y D:xz P:y P:x P:x P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.00 1.00 1.33 1.00 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">40 40 40 105 104 73 105 104 49 23 65 32 55 105 41 56 50 88 41 47 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O Tc Tc O Tc Tc O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.245</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">3.95 3.00 2.81 2.45 2.07 1.86 1.78 1.75 1.72 1.71 1.70 1.65 1.64 1.62 1.58 1.57 1.43 1.41 1.39 1.37 1.15 1.15 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:z D:z2 P:x P:x P:x P:x P:y P:y P:y P:x P:y P:z P:x P:x P:y P:z P:z P:z P:x P:y P:y D:xy P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               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 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">40 105 58 68 78 82 92 46 40 25 36 42 71 101 79 96 66 77 89 70 78 105 51 74 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O Tc O O O O O O O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.142</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">334</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.33 4.26 2.67 2.48 2.36 2.36 2.28 2.14 2.09 2.04 1.96 1.65 1.63 1.61 1.60 1.55 1.48 1.26 1.13 1.11 1.06 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:x P:z P:x P:x P:z P:x P:y P:z P:y P:x P:y P:z P:y D:xy P:z P:y P:y P:z P:z P:x 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 -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="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">50 47 96 96 35 37 100 68 40 77 54 101 92 87 58 104 48 42 70 59 92 36 29 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O 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">-8.137</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">7.05 5.78 3.67 3.50 3.04 2.75 2.29 1.91 1.88 1.83 1.74 1.67 1.63 1.51 1.48 1.38 1.32 1.30 1.28 1.23 1.22 1.11 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:x P:y P:z P:z P:x P:y P:x P:y P:z P:x P:z P:y P:y P:y P:x P:z P:z P:z P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 91 99 74 83 93 69 65 72 78 62 60 84 90 84 71 70 94 82 76 71 88 64 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">-8.111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.19 4.02 2.66 2.44 2.09 2.02 2.01 1.99 1.74 1.68 1.66 1.47 1.43 1.38 1.30 1.28 1.26 1.25 1.23 1.15 1.13 1.08 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:x P:x P:z P:x P:z P:y P:z P:x P:x P:y P:z P:x P:y P:x P:z P:y P:x P:z P:z P:z 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">37 52 36 49 26 85 38 45 61 30 34 27 55 77 97 91 47 29 44 99 33 26 40 97 53</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">-8.063</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="20">4.39 2.74 2.67 2.65 2.26 2.06 1.90 1.89 1.86 1.82 1.75 1.67 1.66 1.57 1.50 1.47 1.23 1.18 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:y P:x P:x P:x P:x P:y P:z P:x P:z P:z P:x P:x P:x P:x P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">73 75 41 50 39 64 78 75 84 47 78 41 90 97 82 79 34 82 53 87</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">-8.048</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="21">2.90 2.87 2.81 2.51 2.43 2.13 1.66 1.63 1.61 1.46 1.43 1.34 1.34 1.24 1.24 1.24 1.14 1.11 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x P:y P:y P:z P:x P:z P:z D:z2 P:x P:z P:x P:y P:z P:x P:x P:y P:x P:x 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 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">92 82 58 36 51 89 84 59 105 52 96 68 47 25 59 25 88 96 92 40 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O Tc O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.039</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">4.00 3.39 2.91 2.50 2.25 2.23 2.16 2.11 2.04 1.93 1.80 1.71 1.67 1.66 1.55 1.53 1.50 1.49 1.40 1.37 1.33 1.27 1.20 1.17 1.16 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:y P:y P:y P:y P:y P:x P:x P:x P:z P:x P:x P:z P:x P:y D:xz P:y P:x P:z P:z P:x P:z P:x 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 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">50 96 41 57 96 36 28 97 26 35 100 87 55 75 100 86 1 47 73 42 77 23 26 53 45 46 42 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.010</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">340</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.40 3.65 2.77 2.65 2.61 2.13 1.93 1.86 1.82 1.76 1.73 1.66 1.44 1.41 1.37 1.31 1.30 1.29 1.26 1.23 1.09 1.08 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:z P:x P:z P:y P:x P:x P:y P:z P:z P:x P:z P:z P:x P:z P:x P:x P:z 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 -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 39 41 78 75 39 35 47 28 100 49 57 85 47 48 46 80 29 96 56 48 44 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">-7.970</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="26">8.70 2.66 2.61 2.52 2.48 2.45 2.31 2.28 2.24 2.19 2.18 2.12 2.05 1.91 1.90 1.83 1.73 1.68 1.60 1.60 1.55 1.50 1.41 1.32 1.24 1.23</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:x P:y D:xz P:z P:z P:x P:y P:z P:y D:xy P:y P:y D:xz P:y P:x P:z P:y P:y P:z 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 -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 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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="26">51 99 15 98 65 51 98 10 63 92 65 91 93 63 11 70 94 16 58 69 83 84 64 59 9 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O O O O W O O O O O O W O 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">-7.944</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">342</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.45 3.16 2.75 2.45 1.73 1.66 1.65 1.63 1.60 1.56 1.50 1.46 1.44 1.42 1.34 1.27 1.26 1.26 1.20 1.19 1.17 1.12 1.09 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:y P:x P:y P:z P:z P:y P:y P:z P:y P:x P:z P:z P:z P:z P:z P:y P:z P:z P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">47 50 97 74 86 78 100 65 36 41 41 93 68 82 47 23 45 76 51 39 32 65 43 23 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">343</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.65 3.48 3.20 2.96 2.77 2.40 2.24 2.22 2.05 1.97 1.96 1.88 1.85 1.74 1.71 1.65 1.63 1.58 1.56 1.44 1.33 1.29 1.20 1.18 1.17 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:z P:y P:y P:y P:y P:z P:x P:y P:z P:y P:z P:x P:z P:y P:y P:y P:z P:z P:z P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">82 74 73 75 73 66 67 65 82 76 76 93 62 76 56 59 78 80 78 88 89 50 80 97 47 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.922</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.73 3.19 3.03 2.81 2.63 2.56 2.43 2.33 2.29 2.13 2.10 1.86 1.70 1.52 1.46 1.44 1.35 1.31 1.30 1.18 1.14 1.12 1.07 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 D:yz P:y P:x P:z P:z P:y D:x2-y2 P:y P:z P:z P:x P:y P:z D:xy P:y P:x P:x D:yz 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 -6.681 -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 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">72 71 60 105 51 70 59 65 65 105 58 64 62 98 78 68 105 91 71 101 104 94 73 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O Tc O O O O O Tc O O O O O O Tc O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">345</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.67 5.27 5.09 4.69 3.10 3.04 3.01 2.90 2.80 2.09 1.90 1.88 1.55 1.29 1.12 1.11 1.11 1.09 1.07 1.05 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz P:z P:x P:y P:y P:y P:x P:x P:z P:z P:x P:z P:x P:x P:x P:y P:x P:y D:xy P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -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="22">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">104 31 27 31 36 46 30 24 96 42 34 54 72 42 38 33 53 57 104 39 53 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Tc O O O O O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.859</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="22">4.31 3.70 3.13 2.99 2.61 2.20 2.16 2.11 1.90 1.88 1.72 1.62 1.55 1.55 1.35 1.25 1.13 1.13 1.08 1.08 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:y P:y P:z P:x P:x P:z P:y P:x P:x P:y P:z P:y P:z P:z P:y P:z D:z2 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 -6.681 -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 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">75 40 85 39 40 39 78 70 55 41 88 67 75 84 35 50 94 74 100 105 34 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.851</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="25">4.20 4.05 3.87 3.02 2.72 2.50 2.09 2.08 1.99 1.97 1.70 1.68 1.65 1.60 1.57 1.54 1.33 1.31 1.30 1.16 1.14 1.14 1.11 1.09 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:y P:x P:y P:z P:x P:y P:z P:z P:x P:z P:x P:x P:z P:x P:y P:x P:x P:x P:y P:z P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">30 24 70 85 44 97 41 33 41 31 84 53 73 98 39 35 48 34 62 27 85 37 52 37 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.817</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">348</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.48 4.05 3.24 3.06 2.92 2.64 2.29 2.11 1.92 1.79 1.78 1.77 1.68 1.62 1.52 1.48 1.45 1.37 1.23 1.23 1.23 1.15 1.12 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:y P:z P:z P:y P:y P:z P:y P:z P:z P:y P:z P:y P:x P:y P:y P:x P:x P:x P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">70 73 62 75 44 98 99 93 30 40 41 66 76 84 24 83 79 89 94 64 76 33 67 82 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.797</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">7.86 6.17 4.64 2.83 2.77 2.55 2.22 2.15 2.09 1.89 1.78 1.76 1.76 1.58 1.54 1.52 1.33 1.31 1.29 1.26 1.25 1.25 1.25 1.24 1.24 1.22 1.12 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:x P:z P:y P:y P:y P:z P:z P:y P:z P:x P:z P:z P:x P:y P:z P:y P:z P:z P:y P:y P:z P:z P:x P:z 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">29 34 35 24 38 52 38 29 24 54 42 85 45 27 27 53 54 30 33 54 46 33 30 26 86 96 58 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.775</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="23">4.44 4.04 3.53 2.48 2.38 2.36 2.19 2.15 2.11 2.06 1.63 1.62 1.58 1.47 1.44 1.44 1.36 1.35 1.30 1.28 1.14 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:z P:x P:z P:x P:z P:y P:z P:z P:x P:x P:y P:x P:y P:y P:y P:z P:y P:x P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">58 99 68 29 60 71 101 69 46 72 96 23 72 64 74 73 60 33 65 83 32 39 40</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">-7.760</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="31">4.57 4.38 3.80 3.19 2.35 2.35 2.24 2.18 2.07 2.02 1.81 1.75 1.75 1.61 1.48 1.34 1.33 1.32 1.25 1.23 1.19 1.15 1.14 1.14 1.13 1.11 1.10 1.07 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:y P:y P:x P:z P:y P:z P:z P:z P:y P:y P:y P:x P:z P:y P:y P:z P:y P:z P:x P:z P:x P:z P:z P:x P:y P:x 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 96 77 53 36 57 44 28 55 46 32 50 26 30 85 28 74 81 39 51 97 52 28 61 47 44 99 42 73 39 85</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">-7.750</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="20">5.76 4.41 4.22 3.88 3.50 3.42 3.06 3.03 3.00 2.24 2.07 1.73 1.73 1.71 1.70 1.56 1.51 1.50 1.50 1.44</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:z P:x P:z P:y P:x P:y P:y P:x P:z P:z P:z P:z P:y P:y P:z P:z P:y 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">61 71 51 61 84 76 76 92 59 70 66 100 71 41 73 53 44 76 74 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">-7.734</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="21">9.55 6.24 5.26 4.27 3.58 3.30 2.97 2.68 2.63 2.42 2.20 2.11 1.93 1.83 1.61 1.40 1.18 1.13 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:z P:x P:x P:y P:z P:z P:y P:y P:x P:x P:x P:z P:y P:z P:x P:y P:y 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">97 36 100 37 43 77 28 41 41 74 81 83 96 37 100 86 100 73 45 52 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.725</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="21">13.17 4.13 3.73 2.49 2.35 2.34 2.32 2.31 2.29 2.08 1.82 1.46 1.43 1.43 1.33 1.28 1.18 1.14 1.13 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:y P:y P:x P:y P:z P:x P:z P:y P:x P:y P:y P:z P:z P:y P:z P:z P:x 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">83 74 92 82 73 65 92 68 75 63 58 93 83 91 82 95 67 70 97 76 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 O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">355</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.60 4.63 4.33 4.24 4.14 3.97 3.32 3.07 2.62 2.61 2.29 1.91 1.39 1.29 1.26 1.25 1.25 1.24 1.19 1.13 1.11 1.09 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:z P:y P:y P:z P:y P:z P:y P:y P:y P:x P:y P:x P:y P:z P:x P:y P:y P:x P:z P:x P:x 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">60 60 99 68 69 101 65 74 63 62 76 64 93 72 63 92 68 36 93 80 98 69 94 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.05 2.97 2.93 2.93 2.65 2.43 2.41 2.40 2.28 2.28 2.27 2.00 1.93 1.91 1.87 1.78 1.71 1.68 1.67 1.63 1.60 1.46 1.41 1.40 1.32 1.22 1.14 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:x P:y P:y P:y P:z P:z P:z P:z P:z P:x P:y P:x P:z P:x P:x P:x P:z D:z2 P:x P:y P:z P:z P:z P:z P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">67 58 75 39 42 51 75 55 46 44 88 32 96 65 71 23 49 39 105 42 99 68 83 32 25 36 55 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O Tc O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.596</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">357</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.00 2.50 2.44 2.39 1.96 1.92 1.83 1.55 1.35 1.34 1.32 1.32 1.26 1.25 1.24 1.22 1.15 1.13 1.10 1.09 1.07 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">P:z P:x P:x P:y P:x P:y P:z P:x P:y P:z P:x P:x P:z P:x P:x P:z P:x P:x P:z P:z P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">46 31 96 33 101 55 54 69 42 31 23 88 39 27 80 71 62 72 62 24 64 30 27 72</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">-7.570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">358</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.49 4.22 3.04 2.65 2.13 2.09 1.96 1.89 1.73 1.71 1.63 1.63 1.60 1.48 1.42 1.36 1.35 1.30 1.27 1.26 1.19 1.16 1.14 1.10 1.08 1.08 1.06 1.05 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:y P:z P:y P:z P:y P:y P:z P:y P:y P:z P:x P:x P:z P:y P:x P:z P:x P:z P:z P:x P:z P:y P:y P:x P:x 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">36 62 96 53 32 25 56 42 92 61 55 38 34 27 43 95 62 50 72 47 66 59 88 38 28 91 83 49 77 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">-7.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">359</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.22 4.13 3.60 3.29 2.65 2.41 2.37 2.31 2.25 2.11 1.82 1.80 1.73 1.72 1.40 1.35 1.33 1.13 1.13 1.10 1.06 1.04 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:z P:y P:y P:z P:x P:z P:x P:x P:x P:z P:y P:z P:y P:x P:x P:z P:z P:y P:x P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">51 94 65 63 92 66 61 64 58 65 95 64 64 60 31 24 93 55 71 101 27 92 90 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.534</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">360</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.69 3.31 3.05 2.97 2.63 2.53 2.24 2.19 1.88 1.82 1.80 1.79 1.79 1.67 1.56 1.38 1.34 1.34 1.29 1.26 1.25 1.12 1.11 1.08 1.06 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z P:y P:z P:x P:y P:y P:x P:y P:x P:x P:y P:z P:x P:x P:y P:x P:z P:z P:y P:x P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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 34 27 77 28 43 27 57 62 53 35 49 44 24 38 47 30 31 46 85 94 50 42 97 56 66 37</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">-7.493</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="24">5.25 3.15 2.98 2.79 2.67 2.58 2.47 2.34 2.25 2.20 1.96 1.92 1.78 1.71 1.66 1.60 1.58 1.44 1.14 1.10 1.07 1.06 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:z P:x P:y P:x P:y P:z P:z P:y P:y P:z P:y P:y P:z P:y P:x P:z P:y P:x P:y P:x 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">44 47 83 43 78 85 70 50 100 95 53 34 74 85 82 99 83 66 40 44 89 50 32 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">-7.463</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="28">3.66 3.34 3.18 2.95 2.88 2.78 2.58 2.45 2.32 2.20 2.08 2.00 2.00 1.82 1.77 1.77 1.62 1.54 1.50 1.36 1.33 1.29 1.24 1.23 1.21 1.14 1.11 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:x P:z P:z P:y P:y P:z P:x P:y P:y P:z P:x P:y P:z P:z P:z P:y P:z P:x P:y P:z P:z P:x P:y P:x P:z P:x 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 88 83 51 95 78 34 43 47 55 66 85 70 32 82 96 53 50 50 85 100 94 67 65 36 81 83 74</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">-7.421</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">363</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.17 3.30 3.13 2.91 2.79 2.67 2.56 2.27 2.16 2.13 2.04 1.99 1.93 1.91 1.89 1.87 1.79 1.70 1.70 1.69 1.63 1.61 1.53 1.48 1.42 1.37 1.33 1.28 1.27 1.26 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:y P:z P:y P:y P:z P:x P:x P:x P:z P:y P:z P:y P:x P:y P:y P:x P:y P:y P:z P:y P:z P:z P:y P:z P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">38 64 38 81 87 33 52 48 87 29 54 35 31 24 43 31 27 53 43 29 27 48 48 66 41 41 34 95 77 30 28</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">-7.416</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="21">9.71 5.54 3.49 3.15 2.22 2.08 2.02 1.79 1.64 1.64 1.49 1.46 1.45 1.43 1.24 1.19 1.18 1.18 1.13 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z P:y P:x P:x P:x P:z P:x P:y P:z P:z P:y P:x P:y P:y P:x P:z P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">64 66 95 72 95 62 90 88 79 92 61 66 67 69 61 66 101 38 87 73 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.407</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="38">3.61 3.58 3.57 3.18 3.05 2.91 2.82 2.62 2.61 2.51 2.23 2.19 2.17 2.16 2.14 2.11 2.06 2.00 1.95 1.86 1.85 1.76 1.75 1.75 1.73 1.71 1.61 1.60 1.59 1.54 1.51 1.47 1.39 1.35 1.29 1.23 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:z P:z P:z P:x P:x P:y P:x P:x P:y P:z P:y P:z P:x P:z P:z P:x P:y P:y P:x P:y P:z P:z P:y P:z P:x P:x P:y P:y P:x P:x P:z P:x P:z P:z P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">86 44 32 36 45 55 96 55 24 37 87 81 30 34 33 85 43 53 53 85 87 48 97 46 86 54 45 54 42 97 24 43 30 57 26 52 33 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.383</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="32">7.32 6.67 6.14 4.15 3.68 3.55 3.33 3.25 3.25 3.11 3.07 2.68 2.38 2.37 2.36 2.13 2.00 1.94 1.63 1.60 1.58 1.49 1.39 1.28 1.21 1.20 1.14 1.10 1.07 1.06 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:y P:z P:y P:x P:y P:z P:x P:y P:x P:z P:z P:y P:y P:x P:z P:x P:y P:x P:y P:x P:y P:x P:z P:z P:z P:z P:y P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">52 35 49 87 48 23 24 87 48 23 96 48 30 36 35 32 30 55 55 26 49 44 42 87 85 46 57 46 52 33 54 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.372</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">367</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.26 5.15 4.18 3.89 3.88 3.51 3.42 2.93 2.88 2.65 2.63 2.56 2.50 2.39 2.34 2.32 2.21 2.17 2.10 1.88 1.82 1.77 1.59 1.46 1.43 1.24 1.24 1.18 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:y P:x P:y P:y P:z P:x P:x P:z P:y P:x P:z P:z P:z P:y P:x P:z P:y P:y P:x P:z P:y P:x P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">90 80 69 89 95 63 94 80 79 83 70 83 84 101 66 76 70 68 59 88 58 51 89 76 63 99 95 91 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">-7.348</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="28">7.05 6.14 4.21 3.74 3.69 3.59 3.29 2.73 2.56 2.56 2.49 2.44 2.09 1.98 1.93 1.92 1.90 1.86 1.74 1.68 1.53 1.48 1.40 1.36 1.20 1.13 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:z P:z P:x P:z P:z P:z P:y P:y P:z P:y P:z P:y P:z P:x P:x P:x P:x P:z P:x P:x P:y 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">88 25 68 90 25 93 51 91 89 98 98 79 79 90 101 98 79 88 56 71 58 51 72 56 59 99 93 83</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">-7.335</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="24">11.07 4.54 3.91 2.95 2.94 2.72 2.58 2.57 2.44 2.20 2.01 1.96 1.96 1.78 1.77 1.66 1.43 1.34 1.30 1.30 1.22 1.13 1.13 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:y P:y P:y P:y P:x P:y P:y P:z P:x P:y P:y P:x P:z P:x P:y P:z P:z P:x 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 -9.089 -9.089 -9.089 -9.089 -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">67 72 99 88 65 67 56 93 72 80 65 56 89 36 32 99 98 40 79 71 58 59 40 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">-7.324</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="23">13.07 12.12 11.47 3.07 2.25 2.13 1.97 1.95 1.82 1.81 1.72 1.65 1.61 1.54 1.54 1.45 1.45 1.38 1.27 1.15 1.08 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:z P:z P:z P:z P:z P:z P:y P:x P:x P:x P:y P:x P:y P:y P:y P:z P:x P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 64 95 72 80 61 67 60 92 90 63 61 72 88 88 89 60 62 79 59 62 92 95</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">-7.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">371</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.57 7.96 6.45 5.87 5.18 4.71 4.04 3.20 3.05 2.42 2.03 2.03 1.93 1.60 1.59 1.56 1.37 1.35 1.26 1.25 1.18 1.11 1.10 1.08 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:y P:x P:z P:z P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:z P:y P:y P:x P:z P:z P:z 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 -9.089 -9.089 -9.089 -9.089 -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">43 81 38 27 38 49 23 27 29 29 86 30 34 45 53 24 77 26 53 81 43 85 27 37 24 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.289</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="29">4.10 3.76 3.20 2.88 2.75 2.53 2.32 2.10 2.03 1.97 1.85 1.82 1.64 1.60 1.40 1.40 1.38 1.34 1.25 1.23 1.17 1.15 1.12 1.11 1.09 1.07 1.07 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:y P:z P:z P:x P:y P:x P:x P:x P:x P:x P:y P:x P:x P:x P:x P:x P:y P:z P:y P:x P:x P:z P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">31 72 88 32 67 60 72 38 36 55 56 23 35 68 52 71 67 39 32 49 56 96 49 62 46 58 52 48 29</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">-7.277</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="35">5.55 4.76 2.89 2.86 2.59 2.35 2.30 2.03 1.82 1.78 1.75 1.69 1.64 1.64 1.62 1.55 1.54 1.46 1.45 1.33 1.29 1.27 1.26 1.22 1.21 1.19 1.18 1.15 1.13 1.11 1.08 1.08 1.07 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:x P:x P:x P:z P:z P:x P:y P:z P:z P:x P:x P:z P:y P:x P:z P:z P:y P:y P:z P:x P:x P:y P:y P:z P:y P:x P:x P:x P:x P:y 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">29 24 45 27 38 86 46 34 30 57 28 81 30 77 77 42 38 49 35 45 54 68 24 26 86 55 33 31 53 43 40 43 37 28 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">374</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.48 7.46 3.59 3.42 3.42 3.36 3.13 3.07 3.00 2.96 2.91 2.89 2.86 2.63 2.35 2.16 2.02 1.58 1.44 1.43 1.23 1.18 1.17 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:y P:z P:z P:y P:y P:x P:y P:z P:z P:y P:z P:y P:z P:x P:x P:y P:z P:x P:x P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">37 97 35 42 77 46 28 53 77 85 28 57 26 44 52 48 52 30 49 87 42 43 23 81 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">375</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">4.98 4.05 3.18 2.98 2.94 2.32 2.14 2.13 2.13 2.11 1.72 1.66 1.66 1.61 1.56 1.50 1.43 1.41 1.41 1.33 1.25 1.23 1.23 1.18 1.17 1.10 1.09 1.04 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:y P:y P:y P:x P:x P:x P:z P:y P:x P:x P:y P:z P:z P:x P:y P:y P:y P:y P:z P:z P:y P:x P:z P:z P:x P:z 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">84 68 61 25 70 29 53 62 68 32 60 67 88 60 55 99 92 89 58 62 56 81 76 30 24 94 34 93 56 31 71</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">-7.228</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">376</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.75 3.85 3.40 3.33 2.99 2.81 2.81 2.35 2.07 2.04 2.00 1.81 1.64 1.63 1.53 1.47 1.45 1.31 1.29 1.28 1.14 1.12 1.12 1.09 1.06 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:y P:y P:x P:z P:z P:z P:x P:x P:y 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:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">58 84 76 92 99 76 71 61 76 83 61 66 93 87 63 51 91 70 84 59 91 99 83 92 73 88 90 80</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">-7.223</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">5.07 4.82 4.39 3.57 3.46 3.22 2.60 2.60 2.56 2.34 2.19 1.89 1.78 1.62 1.50 1.43 1.39 1.37 1.34 1.32 1.23 1.19 1.13 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:x P:x P:x P:x P:x P:y P:z P:x P:x P:z P:x P:z P:z P:x P:x P:x P:x P:y P:z P:z 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 -9.089 -9.089 -9.089 -9.089 -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">27 81 37 87 53 85 23 81 50 54 87 35 52 77 34 52 99 77 53 38 86 77 42 24</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">-7.212</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="36">5.63 5.27 5.15 4.05 3.92 3.37 2.83 2.70 2.61 2.59 2.54 2.05 1.88 1.76 1.72 1.69 1.61 1.57 1.57 1.44 1.43 1.42 1.35 1.35 1.33 1.32 1.30 1.29 1.28 1.25 1.23 1.20 1.18 1.08 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:y P:z P:x P:x P:z P:x P:z P:x P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:y P:x P:z P:x P:y P:y P:y P:z P:z P:z P:x P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">48 43 34 47 97 44 27 48 35 53 28 49 57 97 45 46 86 43 50 33 44 38 30 50 44 85 39 34 47 30 33 34 35 39 36 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.203</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="28">8.17 6.96 5.87 4.46 3.90 3.62 3.56 3.29 3.23 3.19 3.13 2.60 2.46 2.45 2.01 1.69 1.55 1.53 1.48 1.13 1.11 1.11 1.11 1.09 1.07 1.06 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:x P:x P:x P:y P:x P:y P:y P:z P:z P:x P:y P:z P:y P:y P:z P:x P:x P:z P:y P:z P:z P:z P:z 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">66 63 89 90 63 78 79 84 94 98 91 91 70 84 61 25 78 83 61 73 64 68 60 67 72 82 90 70</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">-7.185</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="32">4.77 4.68 4.27 4.01 3.82 3.73 3.00 2.88 2.85 2.74 2.72 2.63 2.61 2.22 2.06 2.00 1.98 1.93 1.85 1.82 1.78 1.75 1.71 1.69 1.43 1.31 1.30 1.25 1.20 1.20 1.15 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:x P:y P:y P:x P:z P:x P:z P:x P:y P:x P:x P:y P:y P:z P:z P:z P:x P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">59 94 95 76 56 82 92 80 90 83 72 92 93 75 58 60 62 80 88 88 79 67 99 72 63 51 71 60 101 25 60 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.174</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="24">7.35 6.32 5.15 4.94 4.52 4.35 4.00 2.67 2.32 2.26 2.24 2.23 2.13 2.09 2.05 1.85 1.79 1.72 1.70 1.57 1.54 1.48 1.47 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:z P:z P:x P:y P:x P:z P:y P:y P:x P:y P:z P:z P:x P:y P:z P:x 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">23 35 49 52 49 77 81 77 27 28 87 86 33 27 45 29 48 77 50 24 54 48 55 29</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">-7.172</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">7.57 7.50 3.59 3.51 2.80 2.65 2.54 2.53 2.33 2.28 2.20 2.09 2.06 1.87 1.70 1.66 1.66 1.55 1.53 1.48 1.47 1.43 1.43 1.37 1.37 1.27 1.22 1.19 1.18 1.11 1.09 1.05 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:y P:x P:z P:z P:x P:x P:y P:z P:x P:x P:z P:x P:x P:z P:x P:x P:z P:x P:x P:z P:x P:x P:x P:z P:z P:y P:x P:y P:y P:z P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">25 79 94 56 98 68 98 76 80 69 95 62 90 62 101 72 93 73 60 83 99 61 56 71 101 56 88 62 93 66 58 94 64 89 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.156</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">7.02 5.02 4.69 4.54 4.26 4.21 3.74 3.44 3.24 2.90 2.80 2.69 2.64 2.50 2.32 2.23 2.21 2.01 2.00 1.99 1.97 1.64 1.48 1.35 1.32 1.21 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:y P:z P:y P:z P:y P:z P:y P:x P:y P:z P:z P:x P:z P:x P:z P:x P:y P:y P:z P:x P:x P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">47 43 32 50 28 28 77 39 24 28 39 30 52 23 46 81 87 30 54 48 55 49 54 36 30 42 86 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.153</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="26">6.43 5.56 4.44 4.36 3.77 3.69 2.99 2.72 2.60 2.53 2.40 2.39 2.27 2.18 2.01 1.91 1.80 1.76 1.35 1.27 1.24 1.23 1.15 1.11 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:x P:y P:z P:z P:z P:y P:z P:x P:z P:x P:y P:x P:y P:y P:y P:x P:z P:y P:x P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">93 31 90 32 98 55 63 88 51 58 72 73 31 88 72 75 94 79 25 65 82 65 56 45 64 62</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">-7.150</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="31">7.68 6.98 5.55 4.94 2.58 2.48 2.44 2.35 2.00 1.76 1.72 1.70 1.62 1.55 1.46 1.43 1.36 1.33 1.32 1.32 1.32 1.23 1.22 1.18 1.17 1.16 1.10 1.08 1.07 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z P:x P:z P:z P:x P:z P:x P:x P:x P:y P:y P:y P:z P:z P:y P:y P:y P:x P:x P:z P:z P:z P:x P:y P:z P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">33 45 48 33 52 54 41 82 87 45 99 86 35 54 68 77 41 54 67 58 79 85 25 97 92 37 88 92 23 75 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.146</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="31">6.34 4.44 3.69 3.35 3.20 3.04 2.76 2.68 2.54 2.52 2.37 2.33 2.28 2.18 2.11 2.05 1.93 1.92 1.82 1.58 1.53 1.51 1.45 1.22 1.21 1.17 1.09 1.07 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:x P:y P:z P:z P:y P:z P:x P:y P:z P:y P:y P:x P:z P:x P:x P:x P:y P:z P:z P:y P:x P:y P:z 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">67 71 78 99 68 79 69 90 82 93 75 33 56 65 45 90 48 92 90 33 61 92 56 65 101 79 71 61 82 25 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.144</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="24">7.61 5.54 4.33 3.88 3.73 3.53 2.74 2.40 2.38 2.25 2.17 1.84 1.78 1.72 1.69 1.66 1.45 1.30 1.24 1.23 1.17 1.14 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:z P:z P:x P:x P:x P:z P:y P:y P:z P:y P:z P:y P:y P:x P:x P:x P:x P:x 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">86 87 54 55 54 31 43 49 32 53 28 31 32 87 35 90 29 79 73 28 54 81 24 69</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">-7.133</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="26">6.37 4.72 3.97 3.86 3.75 3.64 3.41 3.04 2.95 2.94 2.84 2.80 2.69 2.04 1.88 1.65 1.60 1.37 1.35 1.31 1.17 1.15 1.15 1.13 1.07 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:z P:z P:y P:x P:z P:y P:x P:z P:y P:y P:z P:y P:x P:y P:x P:y P:z P:z P:y P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">69 90 101 80 99 64 79 89 31 67 88 79 68 90 29 92 62 94 93 63 32 95 41 39 31 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.125</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="30">9.27 5.27 3.94 3.06 3.01 2.70 2.59 2.51 2.45 2.44 2.31 2.23 1.94 1.90 1.90 1.85 1.79 1.68 1.61 1.59 1.57 1.49 1.30 1.26 1.26 1.25 1.20 1.16 1.12 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:y P:y P:x P:x P:z P:y P:x P:y P:x P:z P:x P:y P:x P:x P:z P:y P:x P:z P:z P:z P:y P:x P:x P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">31 32 55 69 31 87 39 45 33 48 86 54 33 36 27 50 49 38 26 47 27 54 90 38 96 73 39 28 75 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.121</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="19">17.80 10.63 7.16 5.69 4.31 3.90 3.85 2.85 2.45 2.39 2.23 1.75 1.71 1.58 1.44 1.36 1.10 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:x P:z P:y P:x P:y P:z P:y P:z P:x P:z P:y P:x P:x P:y P:y P:y 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">101 89 89 91 101 91 69 75 79 79 82 25 75 25 71 84 91 73 70</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">-7.111</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.92 6.32 5.83 5.31 5.27 4.74 4.15 3.78 3.53 3.42 3.33 2.58 2.44 2.41 1.96 1.85 1.80 1.61 1.59 1.49 1.25 1.20 1.17 1.08 1.08 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z P:y P:z P:x P:y P:x P:x P:x P:x P:x P:z P:z P:x P:z P:y P:z P:x P:x P:y P:z P:z P:z P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">69 91 25 80 80 98 79 73 98 91 89 73 25 83 60 93 98 59 78 60 59 75 78 76 76 68 63</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">-7.090</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="21">13.77 10.44 8.84 4.59 3.69 3.54 3.37 3.24 3.13 2.26 2.12 2.02 2.02 1.75 1.73 1.67 1.62 1.49 1.47 1.34 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:x P:x P:y P:y P:y P:z P:z P:z P:y P:z P:z P:z P:y P:z P:y P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">59 56 80 59 93 78 73 82 98 93 25 76 91 59 69 71 56 26 90 65 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.088</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="22">18.04 9.35 7.18 4.89 3.20 3.04 2.56 2.42 2.39 2.37 1.78 1.77 1.58 1.34 1.29 1.21 1.19 1.19 1.15 1.13 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:z P:y P:x P:x P:y P:x P:x P:y P:y P:y P:y P:z P:z P:y P:x P:y P:y P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">26 45 41 49 26 35 50 29 47 45 59 77 38 56 86 97 38 27 27 48 80 33</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">-7.078</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="18">15.83 8.70 7.27 6.39 5.71 4.40 4.24 3.23 2.73 2.48 2.19 2.12 1.74 1.70 1.57 1.45 1.18 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:x P:y P:x P:z P:z P:z P:y P:z P:x P:x P:x P:y P:z P:y P:y P:y 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">57 57 86 23 41 86 52 26 50 49 47 86 57 28 87 35 47 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.055</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="29">5.52 5.02 4.24 3.84 2.65 2.61 2.41 2.26 2.17 1.90 1.78 1.77 1.73 1.70 1.64 1.62 1.43 1.42 1.34 1.31 1.28 1.22 1.19 1.17 1.11 1.10 1.09 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:y P:x P:z P:x P:z P:x P:x P:z P:y P:z P:x P:z P:y P:y P:y P:y P:x P:x P:z P:z P:x P:x P:z P:z P:z P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">40 40 40 23 57 49 67 86 53 54 34 46 94 33 26 65 88 57 81 63 101 27 51 34 32 36 69 33 43</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">-6.910</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">396</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.21 7.65 6.50 5.73 5.28 4.79 3.84 3.66 3.52 2.46 2.36 2.09 2.00 1.99 1.85 1.69 1.61 1.46 1.45 1.42 1.29 1.23 1.22 1.15 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:y P:z P:y P:z P:x P:x P:x P:x P:z P:z P:x P:z P:y P:x P:z P:z P:z P:z P:z P:x 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">24 52 46 96 33 40 37 53 96 35 46 24 23 42 44 40 37 85 34 33 54 36 34 51 53</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">-6.897</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="21">11.15 9.20 8.64 8.38 6.41 3.42 3.14 3.01 2.40 2.22 2.09 1.84 1.71 1.71 1.64 1.55 1.50 1.47 1.35 1.29 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:y P:z P:x P:z P:y P:y P:z P:x P:y P:z P:y P:z P:z P:y P:z P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">30 40 36 42 35 54 97 42 40 49 35 85 65 49 36 30 96 53 97 34 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">-6.881</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">14.30 10.39 6.96 5.09 4.00 3.42 3.33 2.88 2.81 2.78 2.76 2.22 2.17 1.86 1.85 1.66 1.65 1.41 1.32 1.22 1.18 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:y P:z P:x P:x P:z P:y P:x P:y P:z P:y P:z P:x P:y P:x P:y 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="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">40 40 96 36 51 24 52 46 32 65 30 35 55 88 44 42 58 42 67 55 71 65 85</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">-6.860</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="20">11.00 9.53 6.96 5.69 5.67 4.89 4.66 4.53 3.64 3.58 3.24 2.19 2.03 2.01 1.90 1.79 1.64 1.59 1.42 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:y P:y P:x P:z P:z P:x P:z P:y P:z P:z P:x P:y P:z P:z P:z P:z 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">72 61 92 91 62 92 64 60 61 59 59 60 64 64 91 72 63 80 62 89</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">-6.856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">400</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.55 9.45 8.29 7.29 4.97 4.73 3.72 3.71 3.69 3.52 3.20 2.38 2.25 2.15 2.12 2.02 2.02 1.70 1.58 1.43 1.15 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:y P:z P:x P:y P:x P:x P:z P:z P:z P:y P:z P:y P:x P:x P:x P:x P:z P:z 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">34 44 85 52 46 53 35 54 97 42 97 37 37 30 33 24 54 30 53 37 36 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.781</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">10.62 7.84 7.80 5.63 4.93 4.49 3.87 3.42 2.91 2.85 2.67 2.63 2.39 2.25 2.24 2.06 1.91 1.72 1.72 1.57 1.52 1.50 1.43 1.43 1.42 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z P:y P:z P:y P:y P:y P:x P:x P:z P:x P:x P:y P:y P:x P:x P:z P:x P:x P:x P:y P:z P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">31 29 31 29 28 97 77 31 27 29 37 53 85 36 44 26 77 96 34 38 35 30 24 44 54 33 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">-6.769</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">11.09 9.87 9.82 7.72 4.75 4.34 4.21 3.81 2.38 2.06 1.86 1.81 1.78 1.73 1.46 1.35 1.34 1.24 1.15 1.08 1.06 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:z P:y P:z P:y P:x P:y P:x P:z P:x P:y P:y P:y P:y P:x P:y P:x P:z P:y P:y P:x 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">58 63 70 98 51 58 84 101 93 70 83 94 71 93 60 76 98 58 99 91 93 70 94 68</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">-6.758</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="20">8.59 8.17 6.68 5.62 4.94 4.86 4.66 4.31 4.05 3.92 3.41 3.30 3.14 2.61 1.94 1.92 1.84 1.78 1.27 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">P:x P:x P:y P:x P:x P:z P:x P:z P:z P:z P:x P:z P:y P:z P:y P:x P:x P:x P:y 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">101 68 94 60 69 93 99 63 64 62 62 94 93 98 64 84 76 72 98 62</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">-6.744</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">404</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.74 7.70 6.67 6.14 6.06 5.61 4.37 3.34 3.17 3.00 2.98 2.98 2.72 2.09 1.71 1.66 1.54 1.50 1.40 1.40 1.39 1.35 1.30 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:y P:z P:y P:z P:x P:x P:y P:y P:y P:z P:x P:z P:z P:z P:z P:x P:y P:z P:z P:y P:x 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">71 51 83 94 71 60 83 84 93 91 76 72 65 62 64 93 68 62 68 98 98 101 92 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.723</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="21">14.82 9.44 8.02 7.00 5.60 5.24 5.10 2.83 2.76 2.36 2.05 1.83 1.81 1.78 1.77 1.63 1.49 1.29 1.29 1.27 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:z P:z P:x P:y P:z P:x P:y P:z P:z P:z P:z P:x P:y P:y P:x 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">69 99 101 59 65 68 91 63 59 61 71 83 92 76 63 98 99 94 98 59 69</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">-6.712</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="27">13.45 12.25 5.82 4.95 4.73 4.47 4.12 3.34 3.32 2.99 2.74 2.45 2.03 2.03 1.77 1.76 1.63 1.57 1.48 1.43 1.42 1.38 1.34 1.26 1.16 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z 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:x P:x P:y P:z P:y P:y P:x P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">26 77 33 38 34 33 27 27 53 44 77 37 54 54 38 77 26 26 24 46 28 29 34 57 53 38 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.701</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">12.91 11.83 10.99 7.78 4.35 3.46 2.50 2.47 2.22 2.20 2.18 2.16 2.15 1.55 1.50 1.19 1.10 1.06 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">P:y P:y P:x P:x P:z P:y P:z P:y P:z P:z P:x P:y P:x P:y P:x P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">57 28 38 27 28 54 54 97 57 27 53 27 85 53 34 77 31 29 85 31</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">-6.696</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="23">11.88 11.25 9.37 7.89 4.39 3.57 3.44 2.98 2.65 2.56 1.98 1.83 1.75 1.67 1.44 1.30 1.26 1.25 1.13 1.10 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:y P:y P:y P:z P:y P:y P:z P:z P:z P:x P:y P:z P:y P:z P:x P:y P:x P:y P:x 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">76 65 84 51 70 92 61 91 94 83 59 76 63 99 58 69 68 68 83 57 58 101 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">-6.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">409</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">13.00 11.51 9.77 8.61 6.98 4.97 4.81 3.74 3.38 3.28 3.02 2.43 2.33 2.18 2.04 1.97 1.63 1.56 1.26 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:x P:z P:z P:x P:y P:x P:x P:x P:x P:y P:z P:y P:x P:y 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 -9.089 -9.089 -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">44 97 85 37 37 54 34 33 52 97 35 53 53 30 24 85 46 42 33 36 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">410</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">8.51 7.20 6.24 5.79 5.52 4.96 3.93 3.81 3.09 2.69 2.44 2.44 2.42 2.04 2.03 2.02 1.92 1.88 1.85 1.77 1.70 1.68 1.63 1.51 1.50 1.48 1.48 1.23 1.21 1.16 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:z P:x P:x P:z P:y P:y P:x P:z P:z P:y P:y P:x P:x P:z P:y P:y P:z P:x P:z P:y P:x P:x P:z P:z P:y P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">91 60 59 62 72 62 51 61 68 92 65 59 58 101 71 60 92 62 64 69 98 94 99 59 71 93 84 76 63 93 58</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">-6.453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">411</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">8.32 7.55 7.07 5.93 5.61 5.45 4.99 4.49 2.81 2.66 2.49 2.23 1.98 1.90 1.90 1.89 1.88 1.87 1.87 1.65 1.53 1.34 1.29 1.27 1.19 1.19 1.16 1.14 1.07 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:z P:x P:x P:y P:z P:z P:z P:z P:y P:z P:x P:y P:z P:y P:x P:y P:x P:z P:z P:y P:z 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="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">57 38 26 27 29 28 77 29 28 27 77 31 31 44 57 29 26 97 34 54 85 26 30 35 33 53 42 37 52 31 24</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">-6.431</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="24">8.30 7.53 6.63 5.61 5.60 5.44 5.27 5.21 5.04 4.93 4.93 4.07 3.48 3.16 2.74 2.63 2.31 1.99 1.97 1.78 1.60 1.32 1.31 1.23</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:x P:z P:y P:y P:x P:y P:x P:x P:z P:z P:x P:y P:x P:z P:y P:x P:z P:x 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">76 84 63 69 65 70 94 101 51 68 99 83 98 83 58 71 93 93 58 94 70 71 99 98</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">-4.257</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="18">33.51 9.07 4.81 4.34 4.04 3.39 2.86 2.65 1.74 1.70 1.66 1.65 1.41 1.24 1.20 1.20 1.20 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz D:xy D:xy P:x D:z2 D:xz D:xz D:z2 D:xy P:z D:xz D:x2-y2 D:xy P:y D:xy P:y D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">104 104 22 27 20 5 1 3 18 31 18 3 20 46 1 31 18 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Tc Tc W O W W W W W O W W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.037</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="12">23.21 13.87 11.99 9.71 9.14 2.88 1.95 1.66 1.48 1.37 1.21 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:z2 D:xy D:xy D:xz D:z2 D:xz P:z P:x D:xz P:x P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -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 1.00 1.00 1.33 1.33 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">105 105 104 104 104 105 51 58 15 88 46 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Tc Tc Tc Tc Tc Tc O O W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.005</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">25.76 10.86 7.69 6.62 5.72 5.38 4.43 2.76 1.84 1.54 1.33 1.27 1.26 1.19 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">D:x2-y2 D:xy D:yz D:xz D:z2 D:yz D:xz D:z2 D:x2-y2 P:y P:x D:xy P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.00 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">105 104 104 104 105 105 105 104 104 65 71 10 67 42 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">Tc Tc Tc Tc Tc Tc Tc Tc Tc O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.964</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="23">19.44 8.03 7.35 4.70 4.17 3.95 3.59 3.17 2.75 2.49 2.46 2.40 1.69 1.58 1.40 1.33 1.24 1.23 1.11 1.08 1.05 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:xy D:x2-y2 D:xz D:xz D:xy D:z2 P:x D:xz D:xz P:z D:xy D:x2-y2 D:yz D:z2 D:xy D:xy D:yz P:y P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -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="23">1.00 1.00 1.00 1.00 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.00 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="23">105 105 105 105 12 15 13 72 10 7 62 7 8 8 105 12 13 17 51 62 58 62 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc Tc Tc W W W O W W O W W W Tc 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">-3.719</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="30">8.07 7.92 6.88 4.88 4.72 4.26 4.22 3.35 2.03 1.84 1.81 1.78 1.75 1.73 1.73 1.59 1.57 1.52 1.46 1.40 1.40 1.36 1.22 1.19 1.17 1.14 1.13 1.11 1.09 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:xy D:z2 D:xy D:yz D:xz D:z2 D:xz D:z2 P:y P:z D:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:xz D:z2 D:xy P:z D:yz D:z2 P:y P:y D:yz P:x P:x P:x D:xz P:x D:x2-y2</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 -4.492 -4.492 -4.492 -4.492 -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 -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 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 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="30">15 9 11 14 16 14 10 13 51 63 8 10 13 9 14 8 16 10 65 8 10 58 94 10 101 68 69 15 99 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W O O W W W W W W W W O W W 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">-3.657</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="26">7.34 5.75 5.52 4.38 3.82 3.75 3.70 3.06 2.96 2.58 2.47 2.29 2.26 2.26 2.18 2.18 2.09 2.02 1.86 1.73 1.71 1.66 1.50 1.27 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:z2 D:xy D:xz D:z2 D:z2 D:yz D:xz D:z2 D:x2-y2 P:y P:x D:z2 D:xy P:z D:xy P:y D:yz D:yz P:z P:x D:x2-y2 D:xz D:xz D:yz 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 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -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 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 2 4 5 20 3 3 21 5 19 46 34 19 2 42 20 36 20 19 96 53 21 4 19 21 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W O O W W O W O W W O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.494</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="14">12.28 11.83 8.55 7.23 3.82 3.51 3.15 2.01 1.68 1.65 1.43 1.37 1.18 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:x2-y2 D:yz D:z2 D:xy D:x2-y2 D:yz D:z2 P:y D:xy D:xz P:z P:x D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.00 1.00 1.00 1.00 0.80 1.00 1.33 0.80 0.80 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">104 105 104 104 105 6 105 40 4 1 40 40 105 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc Tc Tc Tc Tc W Tc O W W O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">420</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.62 8.08 6.36 4.67 4.47 4.38 3.25 2.74 2.48 2.39 2.37 2.20 2.10 2.02 1.84 1.66 1.63 1.56 1.52 1.36 1.36 1.13 1.13 1.06 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">D:xz D:xy D:xy D:x2-y2 D:xy D:yz P:y P:x P:z D:xz D:z2 P:z P:x D:z2 D:x2-y2 D:xy P:z P:z P:z D:yz D:x2-y2 D:yz D:xy P:y 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 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -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 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 4 6 6 1 104 28 35 30 4 2 26 38 6 2 22 85 42 29 2 1 6 2 85 85 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W Tc O O O W W O O W W W O O O W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.476</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">8.55 7.68 5.04 4.45 4.23 3.99 3.67 2.97 2.94 2.54 2.36 2.32 2.25 2.09 2.00 1.95 1.83 1.81 1.74 1.70 1.69 1.63 1.53 1.30 1.26 1.22 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:xz D:x2-y2 D:xz D:xy P:z P:y P:x D:x2-y2 D:yz D:x2-y2 P:y D:yz P:y D:xz P:y D:x2-y2 D:yz D:z2 P:z D:xy D:xz P:x D:xy P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.00 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">18 18 18 21 6 77 57 52 21 19 6 44 104 46 1 24 19 21 21 24 22 5 38 4 28 37 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W O O O W W W O Tc O W O W W W O W W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">422</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">14.85 7.77 5.78 4.73 4.23 2.91 2.83 2.14 2.06 2.06 2.04 1.73 1.61 1.52 1.45 1.42 1.38 1.32 1.28 1.26 1.20 1.20 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:z2 D:yz D:xy D:xy P:y P:x P:z D:xz D:z2 P:z D:z2 D:xz P:z D:xz D:yz D:xz D:xy D:x2-y2 P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -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 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 17 105 17 11 70 60 84 12 9 64 14 7 83 11 14 16 7 11 64 99 89 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W Tc W W O O O W W O W W O 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">-3.415</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="27">6.35 5.55 5.38 5.27 3.92 3.09 2.76 2.73 2.62 2.49 2.40 2.22 2.18 2.16 2.02 1.90 1.72 1.70 1.60 1.57 1.42 1.26 1.23 1.22 1.22 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:xz D:z2 D:z2 D:xz D:xz P:x D:xy P:x P:x P:y D:xy D:yz D:yz D:x2-y2 D:x2-y2 P:x P:y D:xy P:z D:z2 D:z2 D:xz P:y D:yz D:xz 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 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">9 17 17 13 16 7 99 7 70 69 58 13 17 8 17 8 101 70 9 84 14 16 8 84 14 11 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W O W O O O W W W W W O O W O W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.395</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">8.33 6.64 5.48 3.09 3.05 2.63 2.49 2.25 2.14 1.99 1.99 1.95 1.92 1.64 1.62 1.38 1.19 1.11 1.08 1.07 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">D:yz D:xz D:x2-y2 D:xz D:yz P:x D:z2 D:xz D:xy P:y D:z2 D:x2-y2 P:y D:xz D:z2 D:yz D:yz P:z P:z D:xy D:x2-y2 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 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -6.681 -9.089 -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 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.00 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 12 6 17 14 68 17 14 12 61 13 17 85 7 9 8 105 84 83 7 8 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W O W W W O W W O W W W Tc O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.386</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="24">11.35 6.83 3.95 3.45 2.78 2.48 2.34 2.20 1.56 1.54 1.41 1.34 1.29 1.28 1.22 1.21 1.20 1.19 1.17 1.17 1.16 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:x2-y2 D:xz D:z2 D:xz P:y D:xz D:x2-y2 D:z2 D:x2-y2 D:xz P:z P:z P:z D:xy D:xz P:y D:yz D:z2 D:z2 D:xy D:x2-y2 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 -9.089 -4.492 -6.681 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 1.00 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.00 0.80 1.00 0.80 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 6 12 17 17 85 16 104 104 17 7 84 59 37 6 14 37 105 16 105 12 2 105 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O W Tc Tc W W O O O W W O Tc W Tc W W Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.368</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="25">14.10 7.02 5.23 3.28 3.13 2.82 2.63 2.28 2.27 2.19 2.05 1.98 1.93 1.87 1.86 1.62 1.56 1.54 1.48 1.37 1.37 1.28 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy D:xz P:y D:xz D:z2 P:z D:xz D:xz D:x2-y2 D:z2 P:y P:z P:z D:xy P:z D:xz P:z P:y P:z D:x2-y2 D:xz P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -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="25">0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 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="25">11 15 16 91 10 17 76 17 7 17 16 51 65 63 7 98 12 59 98 93 10 11 84 94 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W O W W O W W W W O O O W O 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">-3.305</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="32">9.46 4.59 4.58 3.39 3.18 3.12 2.97 2.87 2.83 2.54 2.50 2.26 2.18 2.12 2.10 2.07 1.78 1.73 1.73 1.69 1.61 1.58 1.53 1.50 1.39 1.25 1.21 1.11 1.08 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:z2 D:x2-y2 D:xy D:xz D:yz D:z2 D:z2 D:xy D:xy P:y D:yz P:x D:xz P:x P:y D:xz P:x D:x2-y2 D:xz D:yz P:x P:z D:z2 P:y P:y D:xy P:z P:z D:yz P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -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="32">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">2 19 4 21 19 20 3 2 22 97 3 35 4 34 36 19 53 21 5 20 52 96 19 44 57 20 37 26 2 26 54 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W O W O W O O W O W W W O O W 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">-3.222</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="16">22.87 9.03 7.04 6.60 4.54 4.25 3.93 2.82 2.54 2.43 2.05 1.62 1.55 1.29 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xy D:x2-y2 D:xy P:y P:y D:yz P:x P:y D:xy P:x D:xz D:z2 P:z P:y D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">17 17 16 74 76 17 80 83 9 83 9 6 95 95 9 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W W O O W O O W O W W O O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.194</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="17">20.27 8.28 4.12 3.81 3.73 3.41 2.98 2.94 2.76 2.50 1.71 1.67 1.30 1.19 1.13 1.12 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:z2 D:xy D:z2 D:xz P:z P:z D:xy D:xz P:x P:x P:z D:xy P:y D:xy P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               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 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 6 19 6 100 44 17 4 43 97 86 4 100 105 100 85 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W W O O W W O O O W O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.075</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="16">10.82 10.30 8.82 7.94 7.14 6.50 5.51 2.78 2.69 2.38 1.45 1.35 1.19 1.07 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xy D:z2 D:z2 P:y D:xy P:z D:xz D:z2 D:xz D:xy D:yz D:xz D:x2-y2 D:xz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.33 1.00 1.33 1.00 0.80 1.00 0.80 1.00 0.80 0.80 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">104 104 105 40 105 40 104 6 105 6 104 15 20 6 17 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc O Tc O Tc W 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">-3.031</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="25">11.63 9.49 5.97 4.26 3.13 2.92 2.42 2.33 2.20 2.19 1.84 1.81 1.58 1.54 1.51 1.46 1.39 1.22 1.13 1.10 1.09 1.09 1.09 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">D:yz D:yz D:xz D:xz D:xy D:x2-y2 D:xy D:z2 D:xy D:x2-y2 P:z P:y P:y D:x2-y2 P:x D:xz D:xy P:z P:z P:x D:z2 P:x D:xz P:z P:y</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 -4.492 -9.089 -9.089 -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</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 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 104 1 18 18 6 6 6 1 18 85 44 97 1 34 4 21 37 54 53 20 38 104 96 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W Tc W W W W W W W W O O O W O W W O O O W O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.973</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="20">13.93 7.22 6.29 4.82 3.59 3.58 3.15 2.79 1.86 1.85 1.45 1.44 1.42 1.34 1.24 1.23 1.21 1.21 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:xz D:xz D:yz D:x2-y2 D:xy D:xy D:x2-y2 P:y P:y P:x P:x P:x P:z D:z2 P:x D:yz P:z D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">17 12 7 105 105 7 12 17 70 84 68 99 69 76 14 101 9 83 7 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W Tc Tc W W W 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">-2.859</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="28">5.34 4.43 4.34 4.24 3.89 3.71 3.51 2.94 2.77 2.32 2.17 2.07 2.02 1.71 1.68 1.60 1.53 1.40 1.39 1.38 1.29 1.21 1.18 1.15 1.04 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:yz D:yz D:yz D:yz D:xy D:xz D:xz D:z2 D:x2-y2 D:z2 D:xy P:y D:xz D:x2-y2 D:xz D:yz D:x2-y2 P:y P:z P:y P:z D:z2 P:y P:y P:y D:xy 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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -6.681 -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="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 1.00 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="28">22 2 20 19 3 4 22 21 5 5 3 5 46 5 20 104 5 104 28 42 36 26 19 57 86 32 2 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W O W W Tc W Tc 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">-2.838</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">9.25 6.90 6.19 5.64 5.40 4.80 2.50 2.36 2.31 2.30 2.29 2.00 1.59 1.42 1.41 1.28 1.23 1.22 1.19 1.19 1.17 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:z2 D:xy D:xy D:x2-y2 D:xz D:xz D:z2 D:z2 P:x D:xy D:xz P:x P:y P:z D:x2-y2 P:z P:z P:z P:y D:xy D:yz 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 -9.089 -4.492 -4.492 -9.089 -9.089 -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="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">20 22 4 3 5 21 3 2 38 20 3 27 36 30 19 29 24 96 24 3 3 46 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W O W W O O 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">-2.824</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="33">6.80 5.37 4.28 4.22 4.21 3.49 2.99 2.82 2.79 2.67 2.54 2.24 2.03 1.91 1.80 1.79 1.79 1.69 1.67 1.45 1.45 1.37 1.35 1.32 1.32 1.22 1.18 1.17 1.15 1.13 1.11 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">D:xy D:xy P:x D:xz P:x D:xy D:z2 D:xz D:z2 P:y D:yz D:xy P:y D:z2 P:z P:z D:x2-y2 D:yz D:xz D:yz D:xy D:z2 D:x2-y2 D:z2 D:yz P:y D:yz D:x2-y2 D:yz P:z P:x D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -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 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">1 3 87 18 48 19 18 20 20 86 5 18 32 2 45 55 2 2 1 19 22 1 20 4 22 43 21 19 4 49 45 2 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W O W O W W W W O W W O W O O W W W W W W W W W O W W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.813</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="28">8.88 4.56 3.98 3.59 3.39 3.03 2.80 2.65 2.54 2.35 2.03 1.91 1.86 1.65 1.64 1.60 1.59 1.50 1.47 1.39 1.37 1.36 1.30 1.19 1.08 1.08 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:z2 D:xy D:z2 D:xy D:xy D:z2 D:yz D:yz P:y D:x2-y2 P:z D:z2 D:x2-y2 D:x2-y2 P:y D:x2-y2 P:z P:y D:xy D:xz D:xz D:xz D:x2-y2 D:xz D:xz D:xy P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.00 0.80 0.80 1.33 1.00 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 11 9 15 8 8 14 8 61 10 92 105 16 14 91 105 71 58 9 10 14 16 8 13 105 13 59 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W O W O Tc W W O Tc O O W W W W W W Tc W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.803</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">437</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.32 5.30 5.28 4.64 4.29 3.45 3.37 3.20 3.06 2.98 2.85 2.62 2.55 2.46 2.42 2.34 2.26 2.23 2.02 1.63 1.59 1.24 1.22 1.10 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">D:yz D:z2 D:z2 D:yz D:z2 P:y D:yz D:x2-y2 P:y P:y P:z P:z P:z D:z2 D:xy D:x2-y2 D:yz D:xy P:y D:yz P:z D:x2-y2 D:xz P:x D:yz 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 -9.089 -4.492 -4.492 -9.089 -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</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 18 1 5 21 23 4 1 43 87 81 49 48 4 5 18 21 3 48 18 87 4 20 49 1 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W W O O O O O W W W W W O W O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.799</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="23">8.05 7.74 7.74 7.14 6.63 5.49 5.32 4.11 4.01 3.74 3.52 2.90 2.76 2.47 2.11 2.00 1.84 1.57 1.43 1.31 1.22 1.10 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:z2 D:yz D:z2 D:yz D:z2 P:y P:z P:y P:z P:z D:yz D:z2 P:z P:y D:yz D:x2-y2 D:x2-y2 D:x2-y2 P:y 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 -4.492 -4.492 -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 -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 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 11 7 16 12 88 67 89 90 80 12 15 79 79 10 12 15 7 90 10 10 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W O O O O O W W O 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">-2.772</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="24">7.62 6.27 5.12 5.12 4.93 4.77 4.73 4.13 4.04 3.44 3.39 3.27 2.94 2.91 2.90 2.81 2.73 2.35 2.22 2.20 1.56 1.25 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy P:x D:x2-y2 D:yz P:x D:yz P:y D:xz D:xy P:y D:xz D:x2-y2 D:x2-y2 D:xy D:xz P:z D:x2-y2 P:z P:x D:yz D:yz P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-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 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">12 14 90 13 8 79 13 25 7 7 66 9 9 8 8 12 56 7 95 56 9 14 25 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O W W O W O W W O W W W W W O W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.724</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="22">8.46 7.76 5.27 4.72 3.52 3.45 2.97 2.69 2.67 2.62 2.57 2.38 2.20 1.92 1.46 1.32 1.31 1.30 1.25 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">D:xy D:xz D:z2 D:xy D:x2-y2 D:xz D:xz D:yz D:z2 P:x P:x D:xy D:x2-y2 P:z D:xz D:z2 P:z P:x P:x D:xz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">15 10 9 11 14 16 14 14 13 72 60 9 8 64 13 10 63 99 68 8 105 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W O O W W O W W O O O W Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.707</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="30">5.21 5.19 3.61 3.30 2.99 2.99 2.94 2.78 2.75 2.70 2.68 2.04 1.86 1.78 1.73 1.70 1.68 1.67 1.64 1.58 1.52 1.40 1.30 1.24 1.20 1.19 1.12 1.09 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xy D:x2-y2 D:x2-y2 D:xy D:xz P:x D:xz D:xz P:x D:yz D:xy D:xz D:yz P:x D:x2-y2 D:yz P:z D:yz D:xy P:x P:z D:xz P:y D:xy D:xy D:x2-y2 D:xz D:z2 P:y</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 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -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 1.33 0.80 0.80 1.33 1.00 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.00 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">4 21 2 19 5 5 43 6 22 81 104 4 3 2 23 20 6 42 19 22 49 86 18 45 1 104 21 21 22 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W O W W O Tc W W W O W W O W W O O W O W Tc W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.658</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="38">5.03 3.67 3.46 2.76 2.72 2.37 2.33 2.32 2.13 2.02 1.92 1.89 1.82 1.82 1.76 1.69 1.67 1.58 1.57 1.55 1.52 1.36 1.36 1.27 1.21 1.19 1.19 1.17 1.16 1.15 1.13 1.13 1.13 1.10 1.08 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:xz D:x2-y2 D:xz P:z D:yz P:x D:xz D:z2 D:xz D:x2-y2 D:xz D:x2-y2 D:xy D:xz D:x2-y2 D:xz D:xy D:z2 D:xz P:x D:xy P:y P:z D:xz P:x P:x P:x D:xy P:z D:xy D:xy D:x2-y2 P:x D:x2-y2 D:yz D:xy P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -6.681 -9.089 -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 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -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="38">0.80 0.80 0.80 1.33 1.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.00 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">14 8 11 66 105 89 15 14 16 9 9 13 9 13 17 17 7 11 12 58 16 95 25 8 71 80 88 14 95 10 11 16 69 105 8 15 101 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W O Tc O W W W W W W W W W W W W W O W O O W O O O W O W 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">-2.605</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="16">11.08 10.26 5.98 4.07 2.70 2.55 2.30 2.01 1.88 1.73 1.56 1.43 1.41 1.24 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xz D:xz D:x2-y2 D:xy D:xz D:xy D:xy D:x2-y2 P:y P:x D:xy D:z2 D:z2 P:z D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -6.681 -4.492 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.00 0.80 1.00 0.80 1.00 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">105 104 104 105 7 104 12 105 40 40 18 13 18 40 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc Tc W Tc W Tc O O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.547</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">9.41 6.97 5.54 4.90 4.72 4.52 4.18 3.83 3.41 3.14 2.79 2.27 2.03 1.71 1.43 1.42 1.42 1.36 1.22 1.16 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">D:xy D:xz D:xy D:yz P:y D:yz P:z P:y D:yz P:z D:yz D:yz D:z2 D:xz P:y D:yz P:z D:x2-y2 P:y D:x2-y2 D:x2-y2 P:z</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 -4.492 -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="22">0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">3 20 19 2 32 20 55 86 19 45 22 5 2 4 24 3 30 21 23 20 3 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W O O W O W 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">-2.515</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">8.64 7.72 4.67 4.58 4.19 4.03 2.86 2.73 2.69 2.31 2.15 2.01 1.87 1.68 1.66 1.52 1.47 1.45 1.35 1.17 1.07 1.07 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:xy D:z2 D:xy P:x P:x D:yz D:xy D:xz D:xy D:xz P:z P:z D:yz D:yz D:yz D:xy D:yz P:x D:xz P:y P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -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 -6.681 -9.089 -9.089 -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 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">18 1 1 18 48 87 5 21 18 3 1 87 48 4 21 22 19 1 81 105 86 49 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O O W W W W W O O W W W W W O Tc O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.513</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">8.83 5.94 5.70 4.67 3.83 3.78 3.12 2.98 2.90 2.42 2.26 2.20 2.19 2.00 1.76 1.32 1.23 1.21 1.20 1.12 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:yz D:z2 P:y P:y D:z2 P:z P:z D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:yz P:y D:xz D:xy D:yz D:xz P:x D:xy</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 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">11 15 16 10 89 88 15 67 80 9 16 14 13 10 10 99 9 10 8 10 80 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O O W O O W W W W W W O W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.490</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="27">5.66 5.39 4.25 3.81 3.78 3.73 3.25 3.21 2.94 2.60 2.48 2.37 2.31 2.21 2.20 2.00 1.95 1.88 1.79 1.54 1.38 1.28 1.23 1.16 1.11 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">D:x2-y2 D:z2 D:xz D:x2-y2 D:z2 D:z2 D:yz P:y D:xz D:yz D:yz P:x P:y D:xy D:xy D:xy P:x P:z P:x D:yz D:x2-y2 P:z D:yz P:z P:y 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 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -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 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">18 1 1 1 18 2 18 87 18 22 5 48 48 19 1 3 87 48 29 6 19 45 4 87 23 4 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W O W W W O O W W W O O O W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.478</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="26">5.99 5.51 4.83 4.15 3.78 3.47 2.95 2.87 2.61 2.58 2.56 2.56 2.56 2.32 2.22 2.01 1.89 1.63 1.56 1.52 1.41 1.32 1.15 1.09 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xz D:xy D:yz D:yz D:z2 D:xz D:yz P:x P:x D:x2-y2 P:y P:y D:z2 P:x D:z2 D:z2 D:xz D:x2-y2 P:x P:z D:xz D:xy 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 -9.089 -9.089 -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 -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 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">21 5 4 22 22 5 19 3 4 49 81 20 23 43 4 43 22 21 22 2 23 49 5 20 81 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W O O W O O W O W W W W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.449</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="17">9.82 8.01 5.10 5.07 4.34 3.91 3.61 3.36 2.94 2.61 2.43 2.03 1.97 1.71 1.47 1.22 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xy D:xy D:xy P:x P:x D:z2 P:y D:yz D:xz D:xz P:y D:x2-y2 D:xy D:xz D:xz D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">12 14 7 90 79 7 66 8 7 12 25 13 8 11 15 9 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W O O W O W W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.437</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">8.58 6.23 5.04 3.97 3.78 3.66 2.93 2.80 2.79 2.71 2.69 2.63 2.06 1.77 1.66 1.60 1.59 1.44 1.42 1.30 1.29 1.28 1.27 1.20 1.18 1.16 1.10 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xz D:yz P:z D:xy P:z D:xz D:xz D:yz D:xy D:xz D:xz P:x D:xy D:z2 D:xz P:x P:x D:xy D:z2 P:x D:xy P:z P:x D:xy D:xz D:xy D:x2-y2 D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">9 13 95 16 56 7 13 9 12 11 10 79 7 9 15 80 90 10 8 89 14 25 67 8 12 13 7 15 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W O W O W W W W W W O W W W O O W W O W O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.421</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="18">9.34 8.69 5.77 4.46 4.41 3.87 3.24 3.17 3.11 2.52 2.51 2.48 2.40 1.94 1.92 1.55 1.36 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:z2 D:x2-y2 D:yz P:z D:yz P:z D:xy P:y D:x2-y2 D:yz D:yz D:z2 P:y D:xy P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">7 12 7 12 90 11 79 16 79 12 16 15 10 90 10 60 89 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W O W O W O W W W W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.345</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="26">6.04 5.35 5.34 3.90 3.57 3.52 3.48 3.35 2.82 2.76 2.64 2.59 2.54 2.19 2.14 1.91 1.90 1.77 1.68 1.39 1.20 1.14 1.10 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:z2 D:yz D:x2-y2 D:z2 P:z D:x2-y2 D:z2 D:yz D:yz P:y P:z D:xz P:y D:x2-y2 D:xz D:yz D:xy P:x D:xy P:z D:x2-y2 P:x D:z2 D:yz 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 -9.089 -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 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 0.80 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 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 21 5 20 4 81 2 19 21 4 43 49 3 23 21 4 2 2 45 3 34 4 43 5 19 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W W W W O O W O 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">-2.320</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">6.89 5.44 5.15 4.82 4.50 4.32 2.98 2.93 2.64 2.50 2.43 2.36 2.13 2.08 1.89 1.84 1.54 1.49 1.46 1.45 1.43 1.41 1.33 1.18 1.13 1.11 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 D:yz D:x2-y2 D:yz D:xy D:xz D:x2-y2 D:xy D:yz D:z2 P:y P:y P:z P:z P:y D:z2 P:x D:xy D:yz P:x P:y P:y D:z2 P:z P:y P:z D:yz 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 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -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 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">9 11 13 16 14 14 8 9 15 10 89 95 80 66 66 14 56 8 8 95 88 25 8 94 63 67 13 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O O O O O W O W W O O O W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.271</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">454</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.47 5.05 4.75 4.74 4.62 4.51 3.47 2.80 2.62 2.10 2.01 1.83 1.81 1.78 1.74 1.71 1.59 1.58 1.30 1.24 1.22 1.17 1.06 1.04 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:yz D:yz D:z2 D:z2 D:z2 D:xy P:y D:yz P:z D:xy D:x2-y2 P:y D:xy D:xz D:xz P:z P:z P:y P:x D:x2-y2 D:xz D:yz P:y D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -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 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 1.00 0.80 0.80 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 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 6 104 19 20 2 6 97 19 96 2 20 36 1 4 18 29 37 29 37 6 5 3 44 2 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Tc W W W W O W O W W O W W W O O O O W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.246</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="30">5.43 4.71 4.12 3.65 3.57 3.12 2.94 2.56 2.42 2.03 1.97 1.81 1.62 1.61 1.49 1.48 1.46 1.44 1.41 1.31 1.29 1.22 1.21 1.19 1.18 1.14 1.12 1.11 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:z2 D:z2 D:z2 D:xy D:xy D:yz D:xz P:y P:z D:yz D:x2-y2 D:xy P:x D:xy D:xy P:y D:xz D:x2-y2 D:xy D:xy P:x P:z D:xy P:y P:x D:x2-y2 P:z P:x 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 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.33 0.80 0.80 1.00 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">17 8 13 9 16 11 105 11 58 71 14 17 105 60 13 8 84 16 14 15 17 76 83 10 70 89 13 62 62 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W Tc W O O W W Tc O W W O W W W W O O W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.241</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">7.33 6.49 6.16 3.52 3.16 2.87 2.74 2.64 2.58 2.22 2.13 1.95 1.78 1.63 1.59 1.54 1.53 1.51 1.33 1.25 1.19 1.14 1.07 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xz D:xy D:xz D:xy D:z2 P:x D:yz P:x D:yz D:yz P:z D:xz D:yz P:y D:z2 P:y D:z2 D:x2-y2 D:x2-y2 D:x2-y2 P:x D:xy P:x 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 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -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 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 21 22 5 5 21 38 2 27 19 5 77 22 6 28 20 46 5 5 21 2 53 104 49 42 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W O W W O W W O W O W W W W O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.196</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">457</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.44 6.29 4.88 3.45 2.82 2.80 2.70 2.55 2.34 2.15 2.04 1.92 1.77 1.74 1.71 1.67 1.66 1.45 1.41 1.24 1.24 1.22 1.16 1.15 1.15 1.12 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:xy D:xz D:z2 D:xy D:xy D:z2 D:z2 P:x P:x D:xz D:x2-y2 D:xz D:xy P:x D:x2-y2 P:z D:yz P:y D:z2 P:y D:x2-y2 P:z D:z2 D:xy D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -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</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 1.00 1.33 1.33 0.80 0.80 0.80 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">22 5 4 20 3 1 3 20 104 49 23 1 2 18 104 34 19 46 3 28 6 30 18 24 22 18 21 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W Tc O O W W W Tc O W O W O W O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.170</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="23">9.27 6.43 5.21 3.68 3.26 3.13 2.74 2.72 2.48 2.41 2.39 2.27 2.07 1.95 1.89 1.73 1.66 1.63 1.58 1.57 1.54 1.35 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:z2 D:xz D:xy D:xz D:z2 P:z P:z P:x D:xz P:z P:x P:x P:x D:z2 D:z2 D:xy P:z D:xy D:xy D:xy D:x2-y2 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 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -9.089 -4.492 -4.492 -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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 8 14 8 11 17 66 51 58 12 25 70 88 89 105 14 17 84 14 15 105 13 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W O O O W O O O O Tc W W O W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.119</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="23">3.32 2.51 2.42 2.14 2.09 1.78 1.67 1.66 1.63 1.56 1.53 1.50 1.47 1.35 1.22 1.18 1.14 1.12 1.07 1.05 1.05 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">D:xy D:z2 D:xy D:z2 D:xy D:z2 D:x2-y2 P:x D:xy D:xz D:yz D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:z2 D:xz D:xz D:xy D:x2-y2 D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -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</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 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">10 2 5 19 7 13 10 99 21 7 17 16 5 2 13 10 14 13 4 9 17 11 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W O W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.110</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="18">2.95 2.93 2.51 2.31 2.23 2.19 2.08 2.07 1.87 1.82 1.77 1.62 1.56 1.30 1.19 1.12 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:z2 D:xz D:xz D:xy D:xy D:xy D:xy D:xy D:z2 D:z2 P:x D:xz D:xz D:x2-y2 D:z2 D:xy D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               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 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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="18">2 7 12 5 7 10 12 21 14 13 99 1 5 21 19 15 3 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W W 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">-2.083</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="26">6.36 3.71 3.31 3.07 2.89 2.28 2.21 2.17 2.15 2.10 2.04 1.77 1.52 1.50 1.45 1.45 1.29 1.17 1.15 1.12 1.11 1.10 1.07 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xy D:x2-y2 D:xz D:xz D:xz D:yz D:x2-y2 D:yz P:x D:xz D:xy D:xy D:x2-y2 D:xy P:y P:x P:x P:z D:xz D:x2-y2 P:y D:yz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 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 1.33 1.33 1.00 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">15 11 16 13 7 9 12 17 9 8 68 13 12 10 8 17 91 80 83 98 105 17 61 13 71 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W O W W W W W O O O O Tc W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.081</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.27 5.47 4.84 3.27 3.08 2.81 2.68 2.56 2.29 2.15 2.03 1.92 1.80 1.80 1.77 1.68 1.65 1.53 1.43 1.32 1.27 1.27 1.17 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:xy D:z2 D:z2 D:xz D:xz D:xy D:xy P:x D:xz D:z2 P:x D:z2 D:xz P:z D:z2 P:x D:xz P:x P:x P:y D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">4 22 19 6 3 22 18 19 23 1 104 97 20 18 44 22 52 6 36 43 46 18 24 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W O W Tc O W W O W O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.049</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">6.45 5.73 4.65 4.03 3.38 3.15 3.08 2.64 2.46 2.10 1.97 1.87 1.66 1.63 1.59 1.55 1.48 1.47 1.45 1.45 1.35 1.31 1.26 1.12 1.11 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">D:xy D:z2 D:xz D:yz D:z2 P:x D:xy D:xz D:yz P:z D:xz D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:yz P:z D:z2 D:xy P:x D:x2-y2 P:y D:xy D:xz D:xz 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 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">11 13 16 8 9 60 16 10 13 59 13 17 16 14 9 16 62 14 13 71 8 91 15 11 12 62 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W O W W W O W W W W W W O W W O W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.997</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">4.30 3.40 3.36 2.16 2.12 2.10 2.08 1.71 1.67 1.63 1.60 1.59 1.53 1.48 1.42 1.41 1.40 1.35 1.32 1.28 1.21 1.15 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:xz D:xz D:x2-y2 D:xz D:z2 P:z D:x2-y2 P:x D:yz D:z2 D:xy D:xz D:xz D:xz P:y D:z2 D:xz D:x2-y2 D:xy P:x D:xy D:xy S</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 -6.681 -9.089 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -14.028</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 1.00 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">20 3 6 3 10 9 32 104 36 105 104 10 15 20 17 55 3 18 6 6 96 15 17 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O Tc O Tc Tc W W W W O W W W W O W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.903</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.19 3.18 3.18 3.05 3.04 2.83 2.61 2.52 2.42 2.26 2.14 2.06 1.71 1.48 1.40 1.36 1.33 1.23 1.20 1.20 1.14 1.10 1.09 1.05 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:x2-y2 D:xz D:xy D:xy D:xy D:xz D:xz D:xz D:xz D:xz P:y D:xy D:xz D:z2 D:x2-y2 D:xz P:x D:xy D:x2-y2 P:z P:x P:x D:xy D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -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 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">20 15 21 6 5 6 17 20 3 22 77 10 4 3 17 10 96 3 21 28 88 49 17 4 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W O W W W 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">-1.832</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="19">5.33 2.99 2.87 1.93 1.79 1.77 1.72 1.69 1.65 1.56 1.32 1.25 1.24 1.23 1.19 1.17 1.11 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xz D:xz D:xy D:z2 P:x D:yz D:x2-y2 D:xz D:xy D:x2-y2 D:xz D:z2 D:x2-y2 P:x D:xz D:xz D:z2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               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 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 0.80 1.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">15 17 10 20 88 5 1 18 4 17 21 3 21 67 10 105 19 17 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W O W W W W W W W W O W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.787</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="23">3.93 3.33 3.11 3.08 2.84 2.76 2.54 2.36 2.36 2.06 2.04 1.84 1.77 1.77 1.68 1.44 1.42 1.36 1.32 1.29 1.17 1.04 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:x2-y2 D:x2-y2 D:xz D:z2 D:yz D:xz D:xz D:xz D:z2 D:xy D:z2 D:xz D:xz D:yz D:xy D:xz P:z D:x2-y2 P:y D:xz P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -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 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">104 2 2 19 22 3 22 5 104 20 18 4 20 2 5 19 45 19 26 21 86 23 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc W W W W W W W Tc W W W W W W W O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.778</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="17">4.26 3.98 2.78 2.62 2.55 2.01 1.96 1.92 1.92 1.91 1.39 1.37 1.36 1.25 1.19 1.18 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">D:xz D:z2 D:xy D:z2 D:xz D:xz D:yz D:xz D:xy D:x2-y2 D:x2-y2 D:xz D:xy D:xz D:z2 D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">15 9 10 8 104 22 5 11 19 14 2 3 3 7 14 104 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W W Tc W W W W W W W W W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.740</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="23">7.85 6.30 5.29 3.63 2.67 2.60 2.37 2.23 2.16 2.00 1.99 1.91 1.74 1.73 1.71 1.65 1.42 1.33 1.17 1.14 1.14 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:x2-y2 D:xy D:xz D:x2-y2 D:xz P:x D:xy D:x2-y2 P:x D:xy P:x D:xz D:yz D:z2 D:xz D:xy D:xy P:z P:y P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -9.089 -4.492 -4.492 -9.089 -6.681 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -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 1.00 1.00 1.33 0.80 0.80 1.33 1.00 1.33 0.80 0.80 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">11 13 16 8 105 105 89 15 8 56 105 80 12 16 105 16 11 12 91 51 59 91 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Tc Tc O W W O Tc O W W Tc W W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.725</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">6.30 3.93 2.64 2.31 2.24 2.01 1.89 1.87 1.78 1.69 1.56 1.44 1.40 1.39 1.38 1.38 1.37 1.35 1.28 1.24 1.22 1.21 1.20 1.12 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:xz D:yz D:xz P:x P:y D:x2-y2 D:yz P:y P:z D:xy D:yz D:yz P:z D:xy D:xz D:z2 D:xz D:xy P:x D:z2 D:xy D:yz D:xz 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 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.00 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 19 10 20 20 31 32 20 2 86 55 5 11 19 45 15 7 9 13 105 29 2 8 22 22 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O O W W O O W W W O W W W W Tc O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.694</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="23">6.33 5.34 5.20 4.84 2.86 2.68 2.53 2.52 2.37 2.25 2.04 1.90 1.53 1.53 1.24 1.23 1.23 1.19 1.10 1.04 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:x2-y2 D:xy D:xz D:xy D:z2 P:y D:x2-y2 D:z2 D:xz D:xz P:z P:y P:y P:x D:x2-y2 P:x P:x D:xz P:x D:xy D:xy 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 -4.492 -6.681 -4.492 -4.492 -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="23">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 0.80 0.80 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="23">20 21 4 3 3 77 2 104 6 20 28 55 32 36 19 81 43 1 96 22 1 18 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O W Tc W W 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">-1.690</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">3.75 3.50 3.47 2.78 2.49 2.17 2.10 1.77 1.71 1.65 1.61 1.58 1.30 1.25 1.25 1.25 1.21 1.20 1.17 1.16 1.15 1.14 1.14 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:xy D:xy D:yz D:yz D:xz D:xz D:z2 D:yz D:yz D:xz D:yz P:x D:z2 P:z D:x2-y2 D:xz P:y D:xy P:x D:xy P:z P:y P:z 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 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -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 1.33 0.80 1.33 1.00 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">8 16 15 11 13 20 10 20 10 11 16 62 20 55 104 3 25 21 80 14 56 88 72 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W O W O Tc W O W O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.640</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="26">10.55 9.29 4.18 3.92 3.78 3.57 3.33 2.89 2.52 2.47 2.15 1.98 1.95 1.94 1.73 1.57 1.55 1.52 1.44 1.31 1.17 1.16 1.15 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:yz D:x2-y2 P:z D:yz P:z P:y P:z D:z2 D:xy D:xy P:y D:z2 P:y D:yz P:y P:y P:z D:x2-y2 D:z2 D:xy D:x2-y2 D:xz D:z2 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 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 4.055 -4.492 -4.492 -4.492 4.055 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.00 0.80 0.80 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 18 22 2 34 4 52 35 48 4 1 18 53 19 43 5 87 23 87 1 1 5 18 3 18 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O W O O O W W W O W O W O O O W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.619</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="27">5.85 5.75 4.38 4.28 3.87 3.36 3.25 2.75 2.14 2.11 2.07 1.95 1.84 1.59 1.52 1.45 1.43 1.28 1.25 1.24 1.17 1.17 1.15 1.10 1.08 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:xz D:x2-y2 D:xy D:xy D:z2 D:xz D:xz D:z2 P:x P:x D:yz D:z2 P:x D:x2-y2 D:xz D:xz P:y D:yz D:xy P:z P:x D:z2 P:x P:z P:y 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 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">12 15 9 7 10 7 14 7 14 79 90 11 12 88 13 12 11 93 16 8 66 67 17 70 101 94 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W O O W W O W W W O W W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.598</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="24">10.95 9.61 7.28 4.95 3.14 2.95 2.91 2.79 2.72 2.56 2.45 2.17 2.05 1.59 1.35 1.22 1.21 1.05 1.04 1.03 1.02 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz D:yz D:yz D:z2 P:z D:z2 P:z P:y P:y P:y D:xy P:z D:yz P:y P:z P:y D:x2-y2 P:y D:z2 P:z D:yz D:yz 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 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 4.055 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">21 4 5 22 21 81 4 38 38 53 43 21 49 2 27 34 23 21 81 19 43 19 21 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O W O O O O W O W O O 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">-1.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.67 6.36 3.75 3.40 3.39 3.26 3.02 2.97 2.44 2.32 2.31 2.23 2.18 2.06 1.96 1.95 1.79 1.70 1.45 1.39 1.26 1.22 1.13 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xy D:xy D:xz D:xy D:xz D:xy D:xz D:xy D:yz D:xy D:x2-y2 P:x P:x P:x P:x D:xz D:xz P:z P:y P:x D:xz P:y D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">15 10 12 12 7 9 14 7 8 9 16 7 67 88 79 90 10 11 95 94 61 13 92 13 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W O O O O W W O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.575</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="27">6.77 6.64 5.12 4.86 4.16 3.81 3.64 3.06 2.82 2.70 2.24 1.91 1.88 1.84 1.83 1.70 1.64 1.62 1.35 1.32 1.29 1.25 1.23 1.16 1.13 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:xz D:xz D:x2-y2 D:x2-y2 D:xy P:x D:xz P:x D:x2-y2 P:x D:yz P:z D:xy P:x D:yz P:y D:xy P:y P:y P:y D:xz P:y D:yz 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 -9.089 -4.492 -9.089 -4.492 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">1 18 1 20 18 19 48 3 87 1 54 18 24 3 30 2 33 18 24 86 87 2 30 19 2 33 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W O W O W O W O W O W O W 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">-1.563</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="25">8.94 8.48 4.17 3.86 3.37 3.36 3.08 2.87 2.86 2.83 2.68 2.67 2.43 2.14 2.12 1.77 1.69 1.30 1.27 1.10 1.07 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:z2 D:xz D:x2-y2 D:yz P:z P:y D:yz P:y P:z D:z2 P:z D:yz D:x2-y2 P:y D:yz P:z P:z D:xy D:xz P:x D:x2-y2 D:xz 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 -4.492 -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 -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 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 0.80 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">7 12 15 7 11 101 69 15 99 90 10 68 12 12 79 16 79 51 10 11 88 10 14 88 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O O W O O W O W 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">-1.551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">479</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.97 4.54 2.88 2.65 2.45 2.32 2.13 1.86 1.86 1.85 1.79 1.76 1.58 1.31 1.30 1.22 1.14 1.14 1.10 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 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:yz D:xy D:z2 D:xz D:xz D:x2-y2 D:yz D:xy D:yz D:z2 D:xz D:xy P:x S D:yz P:x D:xz P:y D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -5.688 -4.492 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 2.00 0.80 1.33 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">2 15 5 19 19 22 19 10 3 11 10 6 6 45 6 16 29 105 88 20 72 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W O W W O Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.521</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="22">5.85 4.89 3.75 3.65 3.33 3.09 2.76 2.38 2.34 2.30 2.29 1.83 1.76 1.74 1.72 1.69 1.62 1.57 1.50 1.29 1.24 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:yz P:x P:x D:xz D:yz P:y D:xy D:yz D:x2-y2 D:xy P:z D:yz D:yz D:yz P:y 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 -9.089 -9.089 -4.492 -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 -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 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 13 8 9 9 64 62 9 11 66 8 14 14 16 95 16 13 8 25 2 15 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W O O W W O W W W W O W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.505</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">4.12 3.86 3.84 3.81 3.65 2.49 2.15 1.77 1.70 1.69 1.66 1.60 1.59 1.28 1.26 1.26 1.20 1.19 1.18 1.14 1.12 1.12 1.05 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:xz D:xy D:xz D:yz D:yz D:z2 D:xy D:xy D:z2 P:y D:x2-y2 P:z D:x2-y2 P:x D:x2-y2 D:xz D:x2-y2 P:z D:x2-y2 D:z2 D:xy D:x2-y2 D:yz P:y P:x</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 -9.089 -4.492 -9.089 -4.492 -9.089 -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="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 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="26">11 13 16 11 16 15 16 8 14 10 59 2 80 9 80 13 16 17 91 14 8 12 8 9 89 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W O W O W O 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">-1.446</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="24">7.15 4.58 4.31 3.24 3.08 2.40 2.37 2.03 1.99 1.98 1.94 1.89 1.64 1.55 1.54 1.47 1.43 1.33 1.14 1.14 1.12 1.10 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:xz D:x2-y2 S D:xy S D:yz D:z2 D:xz D:xy P:x D:x2-y2 D:xy P:x P:x D:x2-y2 D:xy P:z D:z2 D:z2 D:z2 S P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -5.688 -4.492 -6.493 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 2.471 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 2.00 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 4 6 6 6 103 22 19 3 5 100 2 4 44 43 20 19 44 3 22 5 103 100 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W H W W W W O W W O O W W O W W W H O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.428</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="19">4.39 3.25 2.84 2.54 2.54 2.10 1.96 1.86 1.63 1.56 1.46 1.37 1.36 1.33 1.30 1.28 1.16 1.13 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 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xy D:xy D:xy D:xz D:yz D:xz D:yz D:xz D:xz D:x2-y2 D:yz P:x D:xz D:xz D:yz S D:yz P:z P:y</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 -9.089 -4.492 -4.492 -4.492 -5.688 -4.492 -9.089 -9.089</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 1.33 0.80 0.80 0.80 2.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">19 3 18 6 20 4 3 1 2 6 5 29 18 22 2 6 11 55 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">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">-1.393</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="16">4.77 4.55 3.36 3.03 2.77 2.49 1.87 1.66 1.42 1.29 1.28 1.26 1.23 1.20 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:yz D:z2 D:yz D:yz D:x2-y2 D:z2 D:xy D:xy P:y P:z D:x2-y2 D:z2 D:yz D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">15 12 10 11 13 16 7 19 69 101 7 7 16 14 9 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W W W W W W W O O W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.389</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">10.25 5.61 5.29 4.82 4.56 3.53 3.33 3.32 2.84 2.32 2.23 2.14 2.10 2.10 2.05 1.82 1.73 1.71 1.52 1.50 1.44 1.08 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 2 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="24">D:xz D:xy D:xy S D:x2-y2 P:x D:xz D:xy S D:x2-y2 D:xz P:x D:xz P:y P:z D:xz P:x P:x P:y S D:yz 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 -5.688 -4.492 -9.089 -4.492 -4.492 -6.493 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 2.471 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 2.00 0.80 1.33 0.80 0.80 1.00 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.00 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">17 17 10 17 9 83 14 9 102 17 10 74 15 92 74 9 67 70 95 102 17 83 8 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O W W H W W O W O O W O O O H W O W O</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">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.68 4.44 3.85 3.84 3.41 3.28 3.14 2.95 2.49 1.92 1.89 1.78 1.70 1.61 1.57 1.44 1.41 1.32 1.31 1.24 1.19 1.17 1.14 1.08 1.05 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:yz D:x2-y2 D:z2 D:yz D:z2 D:z2 D:yz D:xz P:y D:xy D:x2-y2 D:xz P:x P:z D:x2-y2 P:z P:z D:xz P:y P:z D:z2 D:x2-y2 P:z D:yz D:yz 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 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">22 21 18 1 5 5 18 4 1 53 22 2 4 35 52 21 34 27 5 87 49 3 19 48 104 20 20 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W O W W W O O W O O W O O W W O Tc W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.190</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="25">4.57 3.94 3.40 3.17 3.06 2.67 2.12 2.11 1.96 1.89 1.79 1.78 1.66 1.58 1.34 1.27 1.21 1.18 1.15 1.14 1.10 1.09 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:xz D:xy D:yz D:x2-y2 D:x2-y2 D:x2-y2 P:x D:xz D:yz D:yz P:y D:z2 D:xz P:z D:x2-y2 P:z D:z2 D:xy D:z2 D:yz D:x2-y2 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 -6.681 -4.492 -9.089 -6.681 -6.681 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 1.00 1.00 0.80 1.33 0.80 1.00 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">9 12 7 14 13 104 8 40 105 105 9 94 14 104 63 10 93 13 14 16 11 7 15 8 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W Tc W O Tc Tc W O W Tc O W O W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.133</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="16">7.83 6.96 6.53 5.12 4.55 2.97 2.15 1.88 1.87 1.52 1.26 1.09 1.08 1.06 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xz D:x2-y2 P:x D:xy D:xz P:z D:xy D:xz D:yz D:z2 D:yz D:xz D:z2 D:xy D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.33 1.00 1.00 1.33 0.80 0.80 1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">105 104 40 105 104 40 15 10 105 104 10 12 12 16 7 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc O Tc Tc O W W Tc Tc W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.973</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">10.07 8.93 6.83 4.86 4.79 4.69 2.87 2.45 2.40 1.86 1.72 1.66 1.64 1.60 1.48 1.45 1.45 1.29 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">D:x2-y2 D:z2 D:xz D:xy P:y P:z D:xz D:z2 D:xy D:xy D:z2 P:y D:z2 D:yz P:x D:x2-y2 P:z D:x2-y2 D:z2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 0.80 1.33 1.33 0.80 0.80 0.80 1.00 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">104 104 104 5 42 46 22 22 20 104 3 26 19 5 23 2 57 22 105 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc W O O W W W Tc W O W W O W O W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.922</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="20">9.37 6.81 5.15 4.86 4.70 3.68 2.86 2.39 2.22 1.89 1.87 1.70 1.49 1.34 1.34 1.29 1.26 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:z2 D:x2-y2 D:xz D:z2 D:xy D:x2-y2 P:x P:y D:xy P:x D:yz D:xz D:xz D:z2 P:y P:z D:xy D:x2-y2 D:x2-y2 P:y</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 -9.089 -4.492 -9.089 -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="20">1.00 1.00 1.00 0.80 1.00 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">105 105 105 8 105 13 58 71 16 71 13 10 11 15 59 25 15 15 10 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc W Tc W O O W O 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">-0.737</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="10">30.46 30.15 5.14 5.05 -1.74 1.55 -1.26 1.18 1.16 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">2 2 3 3 2 1 2 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S D:xz S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-2.078 -2.078 0.215 0.215 0.790 0.031 0.790 0.031 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">108 109 108 109 105 109 104 108 3 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs Tc Cs Tc Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.483</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="22">6.46 6.45 3.66 3.12 3.04 2.69 2.24 1.96 1.78 1.69 1.66 1.62 1.59 1.40 1.34 1.32 1.26 1.15 1.11 1.07 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 2 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:z2 D:z2 S D:yz D:yz P:y P:z D:z2 P:y D:xy D:xz P:z S D:x2-y2 D:xy D:x2-y2 D:xy S P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -14.028 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 3.429 -4.492 -4.492 -4.492 -4.492 -2.078 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 2.00 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.00 0.80 0.80 0.80 0.80 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">1 18 4 21 106 22 5 48 87 5 35 20 20 52 106 3 21 4 18 108 31 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W P W W O O W O W W O P W W W W Cs O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.444</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">493</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.84 4.74 3.12 2.95 2.67 2.59 2.54 2.07 2.05 2.00 1.92 1.81 1.79 1.76 1.63 1.58 1.53 1.52 1.49 1.49 1.43 1.37 1.31 1.30 1.23 1.20 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:yz S D:xz D:xy D:z2 S D:xy D:yz D:x2-y2 P:y D:x2-y2 D:z2 D:xy D:yz D:x2-y2 P:y S D:yz D:yz D:xy D:x2-y2 S P:x P:z D:x2-y2 D:yz P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -14.028 -4.492 -4.492 -4.492 -2.078 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -2.078 -4.492 -4.492 -4.492 -4.492 3.429 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 2.00 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 1.33 1.00 0.80 0.80 0.80 0.80 0.00 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">12 7 107 9 14 15 109 13 16 7 90 8 10 9 10 12 93 108 13 8 12 14 107 64 79 15 11 98 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W P W W W Cs W W W O W W W W W O Cs W W W W P O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.375</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="27">4.10 3.61 3.55 3.39 3.35 3.30 3.12 2.86 2.32 2.24 2.21 2.08 2.02 1.88 1.87 1.50 1.35 1.32 1.28 1.28 1.24 1.22 1.16 1.15 1.14 1.13 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:xy D:x2-y2 D:x2-y2 D:xz D:xy D:xy D:yz D:z2 P:x D:x2-y2 D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:z2 P:y P:z D:xz D:z2 D:yz D:xy P:x D:yz 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 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -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 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">18 5 1 1 18 20 20 2 19 21 31 22 3 19 3 2 4 22 33 54 19 4 1 3 55 3 34</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 W W W O O W W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.346</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="6">31.91 30.96 1.71 1.43 1.38 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">2 2 1 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S D:z2 S P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-2.078 -2.078 -4.492 1.232 -0.436 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">1.00 1.00 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 109 15 1 109 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs W W Cs 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">496</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">5.08 4.10 3.69 3.59 3.08 2.85 2.21 2.18 2.13 2.00 1.95 1.89 1.78 1.78 1.77 1.77 1.65 1.64 1.29 1.24 1.09 1.09 1.09 1.06 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 3 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S D:z2 S D:z2 D:z2 D:yz D:yz S D:x2-y2 D:yz D:x2-y2 D:xy S D:yz S D:xy D:z2 D:xz D:z2 S D:x2-y2 P:z D:xz D:xy D:yz P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-2.078 -4.492 -2.078 -4.492 -4.492 -4.492 -4.492 -6.493 -4.492 -4.492 -4.492 -4.492 2.471 -4.492 -5.688 -4.492 -4.492 -4.492 -4.492 1.232 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 0.80 1.00 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.00 0.80 2.00 0.80 0.80 0.80 0.80 0.00 0.80 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">109 10 108 15 7 12 16 102 12 10 15 13 102 7 17 14 11 9 16 17 7 72 8 12 13 80 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs W Cs W W W W H W W W W H W W W W W W 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">-0.312</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="20">9.88 9.29 9.24 8.55 4.65 3.59 2.51 2.05 1.89 1.87 1.83 1.52 1.46 1.44 1.28 1.23 1.23 1.23 1.22 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 2 3 2 3 3 2 1 1 3 2 3 1 1 2 1 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S D:xy D:xz S S S D:xy D:xz P:x D:xz S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.493 2.471 1.232 -5.688 1.232 1.232 -5.688 -4.492 -4.492 1.232 -5.688 1.232 -4.492 -4.492 -0.504 -4.492 -6.493 1.232 2.471 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 0.00 0.00 2.00 0.00 0.00 2.00 0.80 0.80 0.00 2.00 0.00 0.80 0.80 0.00 0.80 1.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">102 102 17 17 14 9 14 13 14 16 9 11 9 17 17 8 103 6 103 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">H H W W W W W W W W W W W W W W H W H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">498</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">12.93 11.88 11.18 11.02 4.83 3.94 2.42 2.20 2.13 1.91 1.87 1.83 1.78 1.66 1.56 1.41 1.15 -1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 2 2 3 3 3 2 2 1 2 2 3 2 3 3 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S S S S S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-6.493 2.471 -5.688 1.232 1.232 1.232 -5.688 -5.688 -6.493 -5.688 2.471 1.232 -2.078 1.232 1.232 -2.078 -4.492 24.654</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 1.00 2.00 0.00 0.00 1.00 0.00 0.00 1.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">103 103 6 6 21 4 21 17 102 4 102 19 108 17 2 109 6 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">H H W W W W W W H W H W Cs W W Cs W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.161</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">4.67 4.29 3.76 3.46 3.40 3.16 2.79 2.77 2.76 2.62 2.47 2.29 2.06 1.98 1.91 1.66 1.61 1.43 1.32 1.31 1.30 1.13 1.06 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 2 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:z2 D:x2-y2 D:z2 D:x2-y2 D:xz D:xz D:xy D:xz D:xy D:z2 D:x2-y2 P:x D:x2-y2 D:x2-y2 D:x2-y2 P:x D:z2 P:y P:x D:x2-y2 P:z P:z D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -9.089 -6.681 -9.089 -0.504 -4.492 -9.089 -9.089 -4.492 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 1.33 0.80 0.80 1.00 1.33 1.00 1.33 0.00 0.80 1.33 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">9 17 16 14 17 14 17 105 105 17 11 11 66 14 9 105 95 105 65 14 12 58 51 9 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W Tc Tc W W W O W W Tc O Tc O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.155</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="22">5.04 4.65 4.36 4.18 4.16 3.53 2.76 2.67 2.64 2.58 2.55 2.36 2.15 1.97 1.91 1.87 1.53 1.48 1.42 1.20 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 2 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:x2-y2 D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 D:xz D:xy D:yz D:xz P:z D:yz D:yz D:x2-y2 P:y P:z D:yz P:y P:y P:x P:z</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 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -0.504 -4.492 -9.089 -0.504 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.00 0.80 1.33 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">6 21 104 4 6 21 104 19 2 4 6 43 1 2 4 81 4 18 96 21 77 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc W W W Tc W W W W O W W 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">-0.048</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="30">10.25 8.63 7.88 7.85 6.85 6.52 6.07 5.25 2.37 2.31 2.15 2.07 1.82 1.75 -1.72 1.59 1.54 1.50 1.48 1.43 1.42 1.37 -1.35 -1.33 -1.31 1.30 1.27 1.16 1.12 -1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 3 3 2 3 2 2 2 3 3 3 2 2 2 2 3 3 2 3 2 2 1 2 2 2 2 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S S S P:y S P:x P:x S S S S S P:z S P:y S P:z S S P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.232 1.232 1.232 -5.688 1.232 -5.688 -5.688 -5.688 1.232 1.232 1.232 -0.436 -5.688 -0.436 2.224 1.232 1.232 -5.688 1.232 -2.078 -0.436 -6.493 2.224 0.790 2.224 -5.688 -5.688 -0.436 -2.078 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 1.00 0.00 0.00 0.00 2.00 2.00 0.00 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">22 5 13 22 8 5 13 8 2 19 18 108 18 109 107 11 1 2 16 108 109 103 106 104 106 1 19 108 109 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W Cs W Cs P W W W W Cs Cs H P Tc P W W Cs Cs Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.007</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="41">-5.21 4.15 4.00 3.58 -3.51 3.30 3.13 3.07 2.95 2.87 2.73 2.67 -2.51 2.44 2.39 2.35 2.33 2.31 2.15 2.15 2.12 -2.07 2.04 1.84 1.75 1.44 1.42 1.41 1.37 1.37 1.35 1.35 1.34 1.34 1.31 1.26 1.16 1.15 1.15 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="41">2 3 3 3 2 2 3 2 3 2 3 3 1 2 2 1 3 1 2 2 2 1 2 2 2 2 3 3 2 3 3 3 2 2 3 1 3 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="41">S S S S S S S S S S S S S S S S S S P:x S S S S P:x S S S S S S S S S P:z S D:x2-y2 S P:z S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="41"
                               units="nonsi:electronvolt">0.790 1.232 1.232 1.232 0.790 -5.688 1.232 -5.688 1.232 -5.688 1.232 1.232 -5.054 -5.688 -5.688 -6.493 1.232 -6.493 -0.436 -5.688 -5.688 -5.054 -5.688 -0.436 -5.688 2.471 1.232 1.232 -5.688 1.232 1.232 1.232 2.471 -0.436 1.232 -4.492 1.232 -0.436 -5.688 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="41">0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 1.00 0.00 1.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="41">105 12 7 13 104 12 8 7 18 13 11 1 105 8 18 102 16 103 109 1 17 104 6 108 11 103 2 22 16 9 20 3 102 109 19 16 5 108 22 3 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="41">Tc W W W Tc W W W W W W W Tc W W H W H Cs W W Tc W Cs W H W W W W W W H Cs W W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.118</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="31">5.17 4.32 3.65 3.39 3.39 3.31 3.19 2.94 2.90 2.66 2.63 2.48 2.33 2.29 2.20 -2.12 2.11 1.60 1.54 1.49 1.45 1.35 1.33 1.32 1.31 1.26 -1.25 1.23 1.18 1.17 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 3 3 3 3 2 2 3 3 3 2 3 2 2 2 2 2 2 1 2 1 2 3 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 S S S S S P:x S S S D:x2-y2 S D:x2-y2 S S S D:x2-y2 P:z D:z2 D:x2-y2 D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.054 -5.054 1.232 1.232 1.232 1.232 0.790 0.790 1.232 1.232 1.232 -5.688 1.232 -5.688 -5.688 2.224 -5.688 -5.688 -5.688 -4.492 -5.688 -4.492 -5.688 0.215 0.215 -4.492 2.224 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">104 105 4 14 21 9 104 105 13 22 8 4 5 21 14 107 9 13 8 15 22 10 5 108 109 22 106 4 21 20 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">Tc Tc W W W W Tc Tc W W W W W W W P W W W W W W W Cs Cs W P W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.234</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="19">4.78 3.21 3.16 3.12 2.67 2.12 2.01 1.53 1.51 1.50 1.34 1.31 1.27 1.22 1.22 1.18 1.16 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:x2-y2 D:z2 D:x2-y2 D:xy D:xy D:yz D:xz D:yz D:x2-y2 D:xy P:x D:xz D:x2-y2 P:y D:z2 P:z D:z2 P:y D:z2</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 -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="19">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">3 20 1 2 20 1 19 18 6 18 32 6 18 31 18 31 6 48 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W 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">0.263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">505</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.18 4.53 2.70 2.25 2.06 1.86 1.65 1.54 1.51 1.50 1.49 1.45 1.43 1.36 1.33 1.31 1.23 1.12 1.10 1.07 1.06 1.04 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 3 1 2 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:yz P:z D:x2-y2 P:z D:z2 D:xz P:z D:x2-y2 D:xz D:z2 D:yz P:z D:xz P:x S D:xy S S P:z 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 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -0.504 -4.492 -9.089 1.232 -4.492 -5.688 1.232 -0.504 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.80 1.33 0.00 0.80 2.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">11 15 16 11 14 1 89 14 70 17 16 88 1 8 8 18 11 11 66 18 13 12 1 15 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O W O W W O W W W W W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.284</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="21">4.49 4.28 3.89 3.66 2.70 2.63 2.54 2.48 2.34 2.28 2.23 1.95 1.89 1.66 1.57 1.55 1.39 1.36 1.29 1.12 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 2 3 2 1 1 1 3 1 3 3 1 1 1 1 1 2 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 S S S D:x2-y2 D:yz D:yz S D:x2-y2 S S D:xy D:yz D:x2-y2 D:yz D:xy S S P:y D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -5.688 1.232 -5.688 -4.492 -4.492 -4.492 1.232 -4.492 1.232 1.232 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -5.688 -9.089 -4.492 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 2.00 0.00 2.00 0.80 0.80 0.80 0.00 0.80 0.00 0.00 0.80 0.80 0.80 0.80 0.80 2.00 2.00 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">21 1 1 18 5 2 20 18 22 7 12 2 19 1 21 21 7 12 81 3 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W W W W W O W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.297</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="26">6.89 6.28 5.87 3.30 2.47 2.44 2.25 2.21 2.20 2.11 1.75 1.45 1.38 1.37 1.36 1.31 1.25 1.23 1.16 1.15 1.13 1.11 1.08 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 3 1 1 1 1 1 2 2 3 3 2 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:z2 D:yz D:yz D:z2 S P:z P:z D:x2-y2 P:y D:yz P:z P:z S S S D:x2-y2 D:xy P:y D:xz D:xy P:y D:x2-y2 D:x2-y2 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 1.232 -9.089 -9.089 -4.492 -9.089 -4.492 -0.504 -0.504 1.232 1.232 -5.688 -4.492 -4.492 -9.089 -4.492 -4.492 -0.504 -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 0.00 1.33 1.33 0.80 1.33 0.80 0.00 0.00 0.00 0.00 2.00 0.80 0.80 1.33 0.80 0.80 0.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 22 5 4 21 21 19 23 43 5 49 3 4 22 11 2 19 22 9 81 22 13 5 14 21 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O O W O 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">0.302</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="19">4.98 3.87 3.45 3.26 2.23 2.03 1.94 1.92 1.85 1.78 1.71 1.53 1.51 1.49 1.48 1.37 1.28 1.22 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:x2-y2 D:xz D:xy D:xz D:xy D:yz D:xy D:xy D:x2-y2 D:xz D:yz D:yz P:x D:x2-y2 P:x P:x D:z2 P:x D:z2</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 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</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 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">14 8 13 9 9 10 8 14 8 13 9 14 25 15 93 66 10 98 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W 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">0.325</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="20">6.71 6.51 2.91 2.73 2.58 2.46 2.15 1.71 1.57 1.45 1.38 1.28 1.27 1.20 1.18 1.08 1.08 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 3 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz D:x2-y2 D:z2 D:yz D:x2-y2 P:y D:yz D:xz S D:z2 P:y P:z P:y D:z2 S D:xz P:y P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -5.688 -4.492 -9.089 -9.089 -0.504 -4.492 1.232 -4.492 -9.089 -9.089 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 2.00 0.80 1.33 1.33 0.00 0.80 0.00 0.80 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">12 7 12 14 14 15 90 10 14 14 16 79 79 12 11 18 8 78 72 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W O W W W W O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.350</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="28">4.60 3.78 3.73 3.47 3.43 3.36 2.81 2.75 2.60 1.93 1.70 1.50 1.45 1.44 1.44 1.44 1.42 1.41 1.40 1.39 -1.37 1.31 1.28 1.17 -1.12 1.10 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 3 2 3 2 2 2 1 1 1 1 1 3 3 1 3 1 1 1 2 2 1 1 2 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S D:x2-y2 D:x2-y2 D:yz D:xy D:xy S S D:z2 S D:z2 D:yz D:x2-y2 P:z S D:z2 D:yz P:z S P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.232 1.232 1.232 -5.688 1.232 -5.688 -5.688 -5.688 -4.492 -4.492 -4.492 -4.492 -4.492 1.232 1.232 -4.492 1.232 -4.492 -4.492 -4.492 2.224 -5.688 -4.492 -4.492 2.224 1.232 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.00 2.00 0.80 0.80 0.00 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">11 19 4 4 14 11 19 14 4 16 10 2 20 22 7 21 8 11 9 10 107 22 22 16 106 18 80 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W P W W W P W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.20 3.72 3.66 3.15 3.14 3.12 2.99 2.92 2.80 2.70 2.54 2.48 2.44 2.39 2.28 2.21 1.88 1.86 1.81 -1.58 1.44 1.38 1.36 1.36 1.23 1.19 -1.16 1.15 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 1 3 2 3 1 3 3 3 1 2 3 1 3 2 1 2 2 2 2 1 2 1 3 3 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S D:yz S S S D:yz S S S D:z2 S S D:yz S S D:x2-y2 S S S P:y D:z2 S P:y S S P:z P:y D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 -4.492 1.232 -5.688 1.232 -4.492 1.232 1.232 1.232 -4.492 -5.688 1.232 -4.492 1.232 -5.688 -4.492 -5.688 -5.688 -5.688 2.224 -4.492 -5.688 -9.089 1.232 1.232 -0.436 2.224 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 0.80 0.00 2.00 0.00 0.80 0.00 0.00 0.00 0.80 2.00 0.00 0.80 0.00 2.00 0.80 2.00 2.00 2.00 0.00 0.80 2.00 1.33 0.00 0.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">7 7 12 12 7 9 1 18 2 11 2 21 12 16 1 12 21 18 16 106 15 5 90 9 5 109 107 15 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W W W W P W W O W W Cs P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.359</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="22">5.11 3.05 2.49 2.40 1.96 1.78 1.76 1.73 1.70 1.70 1.68 1.57 1.55 1.50 1.46 1.45 1.32 1.26 1.24 1.11 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 3 1 3 1 1 2 1 3 1 1 1 2 1 2 2 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xz D:x2-y2 D:x2-y2 S D:x2-y2 S D:xy D:z2 S D:yz S P:x D:xy D:xy S D:z2 S S S P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 1.232 -4.492 1.232 -4.492 -4.492 -5.688 -4.492 1.232 -9.089 -4.492 -4.492 -5.688 -4.492 -5.688 -5.688 1.232 -0.504 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 2.00 0.80 0.00 1.33 0.80 0.80 2.00 0.80 2.00 2.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">19 2 19 16 9 4 2 20 4 9 18 7 86 13 9 13 11 2 16 13 19 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W O W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.375</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="16">8.86 8.47 3.43 2.64 2.56 2.42 2.19 1.80 1.45 1.45 1.41 1.25 1.19 1.12 1.10 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 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:yz D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 P:y D:x2-y2 P:z D:xz D:xz D:z2 P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">1 18 4 3 22 5 1 18 27 16 27 5 3 21 38 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W W W W W W W O W O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.388</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="35">4.76 3.87 3.12 3.09 2.74 2.64 2.52 2.48 2.33 2.28 2.24 2.21 2.06 2.04 2.02 2.01 1.97 1.90 1.80 1.78 1.77 1.75 1.72 1.49 1.49 1.48 1.42 1.41 1.34 1.19 1.12 1.12 -1.11 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 2 3 3 1 2 3 2 2 3 1 3 2 3 1 3 3 3 2 2 1 2 2 3 3 2 2 3 3 1 1 2 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S D:xz S S S S S D:xy S S S D:x2-y2 S S S S S D:xz S S S S S S S S P:x D:z2 S P:y S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 1.232 -4.492 -5.688 1.232 -5.688 -5.688 1.232 -4.492 1.232 -5.688 1.232 -4.492 1.232 1.232 1.232 -5.688 -5.688 -4.492 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 1.232 -9.089 -4.492 -5.688 2.224 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 2.00 0.00 0.00 0.80 2.00 0.00 2.00 2.00 0.00 0.80 0.00 2.00 0.00 0.80 0.00 0.00 0.00 2.00 2.00 0.80 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 1.33 0.80 2.00 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">16 16 19 9 19 19 11 9 20 14 2 4 3 20 19 15 10 3 11 14 2 15 10 21 22 4 22 2 13 86 11 2 107 13 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W W W W W W W W W W W W W W W W W W W W W W O W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.414</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="35">4.26 3.95 3.83 3.69 3.64 3.46 3.33 3.16 3.03 2.98 2.96 2.86 2.59 2.49 2.39 2.32 2.27 2.20 2.10 2.03 1.91 1.81 1.65 1.60 1.56 -1.49 1.46 1.40 -1.38 -1.34 1.25 1.24 1.23 1.19 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 3 3 3 3 2 2 3 2 2 2 2 3 2 2 3 2 2 2 2 2 2 3 3 2 1 3 2 2 1 2 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S S S S S S S S S S S S S P:z P:y S S S S P:y D:x2-y2 S P:z P:y D:xy S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 1.232 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 -2.078 1.232 -2.078 -5.688 -0.436 -0.436 -5.688 -5.688 1.232 1.232 2.224 -4.492 1.232 2.224 2.224 -4.492 -5.688 -4.492 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 0.00 2.00 1.00 0.00 1.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 2.00 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">11 12 7 8 2 18 11 18 5 12 5 7 8 13 2 108 1 109 1 108 109 13 22 16 22 107 1 19 107 106 13 16 16 21 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W W W W W W W W W W W W W W Cs W Cs W Cs Cs W W W W P W W P P W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">516</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.01 6.56 5.05 3.37 3.07 2.81 2.33 1.88 1.66 1.62 1.54 1.53 1.37 1.34 1.30 1.29 1.23 1.23 1.22 1.21 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 2 1 3 1 1 1 1 1 1 1 1 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:x2-y2 D:z2 D:yz D:yz D:z2 D:z2 S P:y S D:xy D:x2-y2 P:y D:z2 D:yz D:yz P:y P:z D:yz D:x2-y2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.688 -9.089 1.232 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 1.232 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 1.33 0.00 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">12 7 12 7 10 7 15 9 62 9 7 14 64 16 14 12 72 88 15 8 2 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W O W W W O W W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.474</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">5.39 4.68 4.38 3.55 3.13 3.00 2.99 2.97 2.93 2.87 2.73 2.71 2.52 2.47 2.42 2.34 2.32 2.28 2.25 2.23 2.21 2.10 1.96 1.61 1.52 1.12 -1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 2 3 3 3 3 3 2 2 3 1 3 3 2 2 2 3 2 2 3 2 1 2 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S P:y P:z S D:z2 S S S S S S S S S S D:x2-y2 S D:yz D:x2-y2 S P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.232 -5.688 0.215 0.215 1.232 1.232 1.232 -0.436 -0.436 1.232 -4.492 1.232 1.232 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 1.232 -5.688 -4.492 -5.688 -4.492 -4.492 -6.493 2.224 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 0.80 2.00 0.80 0.80 1.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">19 19 108 109 11 14 9 108 109 4 11 2 16 11 16 4 21 14 2 17 9 15 21 9 10 102 107 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W Cs Cs W W W Cs Cs W W W W W W W W W W W W W W W W H P W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.495</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="22">6.80 5.74 5.72 5.01 5.01 4.96 4.16 4.14 2.75 2.01 1.83 1.74 1.70 1.62 1.53 1.47 -1.40 1.38 1.37 1.33 1.14 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 2 3 3 2 3 2 2 1 3 2 2 2 1 1 1 2 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S D:yz D:z2 D:x2-y2 P:x D:z2 S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 1.232 -5.688 1.232 -5.688 -5.688 -6.493 1.232 -5.688 0.790 2.471 -4.492 -4.492 -4.492 2.224 -4.492 0.790 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 1.00 0.00 2.00 0.00 0.00 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">16 16 19 2 19 11 2 11 102 12 12 105 102 9 14 15 106 16 104 11 12 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W H W W Tc H W W W P W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.532</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="28">2.81 2.55 2.51 2.30 2.24 2.03 1.98 1.97 1.92 1.83 1.81 1.77 1.76 1.71 1.71 1.65 1.65 1.51 1.50 1.49 1.47 1.41 1.34 1.13 1.09 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 3 3 3 1 1 1 1 2 2 3 2 3 2 1 3 2 1 1 1 3 3 1 3 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:x2-y2 S S S S D:z2 D:x2-y2 D:yz D:yz S S S S S S D:yz S P:y D:x2-y2 D:xy D:yz S S D:xy S D:yz D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -6.493 1.232 1.232 1.232 -4.492 -4.492 -4.492 -4.492 2.471 -5.688 0.215 -5.688 1.232 -5.688 -4.492 0.215 -0.436 -4.492 -4.492 -4.492 1.232 1.232 -4.492 1.232 -4.492 -4.492 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 1.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 0.00 2.00 0.00 2.00 0.00 2.00 0.80 0.00 0.00 0.80 0.80 0.80 0.00 0.00 0.80 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 103 1 18 10 4 21 1 3 103 1 109 18 20 10 18 108 108 19 21 20 6 3 2 15 9 11 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W H W W W W W W W H W Cs W W W W Cs Cs 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">0.603</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="27">4.97 4.94 4.56 4.53 4.43 4.08 3.77 3.60 3.03 3.03 2.73 2.50 2.20 2.10 2.04 1.93 1.93 1.93 1.86 1.83 1.78 1.74 1.67 1.55 1.22 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 3 2 2 3 3 3 3 2 2 3 2 3 1 2 3 1 2 3 2 3 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S S S S P:y S D:z2 S S D:x2-y2 S S S S D:xz D:xz S D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 1.232 -0.436 1.232 -4.492 -5.688 1.232 -4.492 -5.688 1.232 -5.688 0.215 0.031 -4.492 0.215 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 2.00 0.00 0.80 2.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">21 4 4 8 14 21 14 8 9 9 5 7 108 18 22 7 5 5 22 22 18 108 109 8 109 108 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W Cs W W W W W W W W Cs Cs W Cs Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.615</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">8.29 7.87 3.89 3.59 2.53 2.51 2.46 2.19 2.09 2.09 1.86 1.77 1.77 1.71 1.57 1.55 1.49 1.49 1.37 1.30 1.26 1.25 1.19 1.17 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 3 2 2 2 2 3 3 3 2 1 2 3 1 3 1 2 1 2 1 3 1 1 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y S S P:x S S S S S S D:x2-y2 S S D:yz S D:xz S D:yz S D:x2-y2 S D:yz D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-0.436 -0.436 1.232 -5.688 -0.436 -5.688 -5.688 1.232 1.232 1.232 -5.688 -4.492 -5.688 1.232 -4.492 1.232 -4.492 -5.688 -4.492 -5.688 -4.492 1.232 -4.492 -4.492 1.232 -2.078 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 2.00 0.00 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.00 0.80 0.80 0.00 1.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">109 108 12 12 109 9 13 3 13 9 3 4 1 1 3 7 2 7 20 5 11 5 7 22 21 109 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs Cs W W Cs W W 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">0.676</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="28">6.91 4.76 3.56 3.24 2.86 2.58 2.26 2.23 2.20 1.63 1.59 1.58 1.56 1.52 1.47 1.47 1.46 1.46 1.46 1.45 1.38 1.34 1.33 1.32 1.19 1.16 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 3 2 2 3 3 1 1 2 1 3 2 2 2 2 2 3 3 1 3 1 3 1 1 3 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S D:xz D:x2-y2 S D:z2 S S S S S S S S D:x2-y2 S D:z2 S S D:yz S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -5.688 1.232 1.232 -4.492 -4.492 -5.688 -4.492 1.232 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 1.232 -4.492 1.232 -4.492 1.232 -6.493 -4.492 1.232 -5.688 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 0.00 2.00 2.00 0.00 0.00 0.80 0.80 2.00 0.80 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.00 0.80 0.00 1.00 0.80 0.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">4 4 9 19 9 19 8 5 16 16 10 11 5 8 10 3 16 11 14 12 11 3 102 8 5 2 12 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W W W H W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.697</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="27">3.78 3.74 3.14 3.05 2.94 2.50 2.08 1.75 1.57 1.50 1.49 1.47 1.45 1.41 1.41 1.36 1.29 1.26 1.22 1.18 1.15 1.10 1.10 1.09 1.08 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 2 2 1 3 1 2 1 1 1 2 1 3 1 2 1 1 1 3 3 3 2 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S D:x2-y2 S D:x2-y2 S D:x2-y2 D:x2-y2 D:xz P:x D:yz S D:x2-y2 S D:yz D:yz D:yz S S S S S D:xy D:xz D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.232 -5.688 -5.688 -4.492 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 -0.436 -4.492 1.232 -4.492 -5.688 -4.492 -4.492 -4.492 0.215 1.232 1.232 -5.688 1.232 0.031 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 2.00 2.00 0.80 0.00 0.80 2.00 0.80 0.80 0.80 0.00 0.80 0.00 0.80 2.00 0.80 0.80 0.80 0.00 0.00 0.00 2.00 0.00 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">18 18 1 11 1 22 9 16 5 2 108 19 16 4 16 13 3 2 108 9 2 2 12 108 21 16 21</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 Cs W W W W Cs W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.714</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="23">8.38 6.51 5.91 5.75 4.45 4.43 3.38 3.37 3.08 2.24 2.21 1.93 1.75 1.72 1.60 1.51 1.45 1.38 1.33 1.27 1.17 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 2 2 2 3 1 3 1 1 2 1 2 2 2 1 3 1 1 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S P:z P:y S S S D:z2 S D:x2-y2 D:z2 P:z D:xy S P:y S D:yz S S D:xz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -0.436 -0.436 -5.688 -5.688 1.232 0.031 1.232 0.031 0.031 -0.436 0.031 -5.688 -0.436 -5.688 0.031 1.232 -5.054 0.031 -5.688 1.232 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">109 108 108 109 21 14 14 109 21 108 108 109 109 2 108 11 108 2 104 108 12 11 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs Cs Cs W W W Cs W Cs Cs Cs Cs W Cs W Cs W Tc Cs W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.754</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">4.68 4.40 3.65 3.64 3.57 3.45 3.19 2.69 2.61 2.37 2.29 2.12 1.96 1.94 1.79 1.59 1.58 1.58 1.46 1.33 1.30 1.29 1.24 1.22 1.20 1.14 1.14 1.13 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 1 2 3 1 3 3 2 1 2 1 3 3 2 2 2 1 3 3 1 1 2 1 1 2 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S D:z2 S S D:x2-y2 S S S D:yz S S S S S S S D:xy S S D:yz D:xz S D:yz D:yz S P:y S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 -5.688 0.031 -5.688 1.232 0.031 0.215 1.232 -5.688 -4.492 -5.688 -6.493 1.232 1.232 -5.688 -5.688 -5.688 -4.492 0.215 1.232 -4.492 -4.492 -5.688 -4.492 -4.492 2.471 -0.436 -5.688 -4.492 -2.078</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.80 2.00 1.00 0.00 0.00 2.00 2.00 2.00 0.80 0.00 0.00 0.80 0.80 2.00 0.80 0.80 0.00 0.00 2.00 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">15 11 109 7 15 108 108 11 10 13 16 102 7 10 12 3 13 13 109 16 8 2 19 12 7 102 108 22 3 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W Cs W W Cs Cs W W W W H W W W W W W Cs W W W W W W H Cs W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.760</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="32">4.07 3.40 3.17 3.14 3.13 2.55 2.39 2.36 2.22 2.21 2.11 2.04 2.00 1.93 1.86 1.77 1.63 1.60 1.60 1.45 1.34 1.27 1.26 1.26 1.22 1.11 1.11 1.07 1.07 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 1 2 2 3 2 1 3 1 2 3 2 3 1 1 3 1 1 3 1 2 1 3 1 2 1 1 1 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S D:x2-y2 S S S S D:yz S D:z2 S S S S D:yz D:x2-y2 S S D:xz S D:x2-y2 S D:x2-y2 S P:x P:z P:x D:xz D:xz S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-5.688 -4.492 -5.688 -5.688 1.232 -5.688 0.031 1.232 -4.492 -5.688 0.215 -5.688 0.215 0.031 -4.492 1.232 -6.493 -4.492 1.232 -4.492 -5.688 -4.492 1.232 -5.485 -0.436 -9.089 -4.492 -4.492 -5.688 -5.688 -5.688 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 0.80 2.00 2.00 0.00 2.00 0.00 0.00 0.80 2.00 0.00 2.00 0.00 0.00 0.80 0.00 1.00 0.80 0.00 0.80 2.00 0.80 0.00 1.00 0.00 1.33 0.80 0.80 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">20 22 3 2 20 13 108 3 22 22 109 8 108 109 5 2 103 5 13 11 10 16 8 106 109 46 2 22 9 19 1 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W Cs W W W Cs W Cs Cs W W H W W W W W W P Cs O W W W W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.864</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="35">3.74 3.32 2.81 2.70 2.57 2.43 2.20 2.08 1.94 1.91 1.90 1.84 1.71 1.69 1.65 1.64 1.60 1.46 1.45 1.45 1.44 1.43 1.28 1.27 1.25 1.20 1.20 1.18 1.12 1.10 1.10 1.07 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">2 2 3 3 2 3 2 2 2 2 1 1 1 1 2 1 2 3 3 1 2 2 1 2 3 2 2 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S P:x S S P:z S S D:xz D:z2 S D:yz S D:x2-y2 S S S D:yz S S D:x2-y2 S S P:y P:y D:x2-y2 P:y D:xz D:x2-y2 S D:x2-y2 D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-5.688 -5.688 0.215 1.232 -0.436 1.232 -5.688 -0.436 -5.688 -5.688 0.031 0.031 -6.493 -4.492 -5.688 -4.492 -5.688 1.232 0.215 -4.492 -5.688 -5.688 -4.492 -5.688 1.232 -0.436 -0.436 -4.492 -5.485 -4.492 0.031 -6.493 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 1.00 0.80 2.00 0.80 2.00 0.00 0.00 0.80 2.00 2.00 0.80 2.00 0.00 0.00 0.00 0.80 1.00 0.80 0.00 1.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">5 8 109 5 109 8 4 108 19 9 109 108 103 19 16 22 1 19 108 2 7 12 11 18 16 108 109 16 106 19 109 102 5 1 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">W W Cs W Cs W W Cs W W Cs Cs H W W W W W Cs W W W W W W Cs Cs W P W Cs H W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.893</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="26">5.32 4.36 4.20 2.97 2.96 2.90 2.38 2.31 2.12 2.11 2.04 1.56 1.52 1.39 1.39 1.36 1.34 1.31 1.30 1.23 1.19 1.14 1.10 1.10 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 2 1 2 2 2 1 2 2 1 3 1 1 2 1 1 2 2 3 1 3 2 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S P:y D:z2 S P:x P:y D:x2-y2 P:z S D:z2 S D:x2-y2 D:yz S D:xy D:z2 S S S D:xy S P:z P:y S D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.215 -0.436 0.031 -5.688 -0.436 -0.436 -4.492 -0.436 -5.688 -4.492 1.232 0.031 -4.492 -5.688 -4.492 -4.492 -5.688 -5.688 0.215 -4.492 1.232 -0.436 -9.089 1.232 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 2.00 0.80 0.00 0.00 0.80 2.00 0.80 0.80 2.00 2.00 0.00 0.80 0.00 0.00 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 108 109 11 108 109 5 109 7 22 11 109 21 22 2 5 13 21 109 20 22 108 49 13 21 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs Cs W Cs Cs W Cs W W W Cs W W W W W W Cs W W Cs O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">529</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.20 5.07 3.97 2.92 2.81 2.56 2.50 2.15 2.14 2.10 2.03 1.99 1.69 1.68 1.63 1.63 1.63 1.57 1.41 1.39 1.31 1.25 1.21 1.18 1.12 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 2 2 1 2 2 1 1 1 3 1 2 3 2 2 2 2 2 1 3 1 3 1 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S P:x S D:xz S S D:xz S D:z2 S D:xy P:z S S S S P:y S D:z2 S D:xy S S D:yz D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.215 -0.436 -5.688 0.031 -5.688 -5.688 -4.492 -5.054 -4.492 1.232 0.031 -0.436 1.232 -5.688 -5.688 -5.688 -0.436 -5.688 -4.492 1.232 -4.492 1.232 -5.054 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 0.00 2.00 2.00 0.80 2.00 0.80 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.80 0.00 0.80 0.00 2.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">109 109 9 108 2 4 8 104 11 9 108 109 4 10 8 1 108 20 15 2 9 10 105 1 13 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs W Cs W W W Tc W W Cs Cs W W W W Cs W W W W W Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.954</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="25">4.64 3.90 3.68 3.53 3.15 2.88 2.79 2.66 2.55 2.43 2.38 2.15 2.05 1.96 1.93 1.66 1.55 1.46 1.44 1.42 1.24 1.19 1.12 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 3 2 2 1 2 1 2 1 2 3 1 3 1 1 3 3 1 1 2 2 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z S S S S P:y S S D:xy S S D:z2 S D:x2-y2 D:x2-y2 S S D:xz D:xy P:x S D:z2 S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-0.436 0.215 -5.688 -5.688 -5.054 -0.436 -5.054 -5.688 0.031 -5.688 1.232 0.031 0.215 -4.492 -4.492 1.232 1.232 -4.492 -4.492 -0.436 -5.688 -4.492 -5.688 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.00 2.00 0.80 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 108 19 21 104 108 105 14 109 16 21 108 109 14 16 19 14 19 13 108 22 22 18 7 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs Cs W W Tc Cs Tc W Cs W W Cs Cs W W W W W W Cs W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.965</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="44">5.47 4.80 4.73 4.11 3.80 3.70 3.56 3.47 3.25 3.14 3.05 3.04 2.91 2.89 2.87 2.61 2.51 2.46 2.20 2.19 2.14 2.14 2.11 2.10 2.09 1.94 1.88 -1.82 1.82 -1.71 -1.67 1.66 -1.63 -1.55 -1.53 1.52 1.32 1.28 1.21 1.21 1.19 1.19 1.10 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="44">2 2 3 2 2 3 2 2 2 3 3 2 3 2 2 2 2 1 1 3 2 3 3 3 3 3 2 2 2 2 2 2 2 1 1 2 3 2 3 2 1 3 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="44">S S S S S S S S S S S S S S S P:x S S S S S S S S S S S S P:x S P:x P:z P:x S S P:z S S S S D:z2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="44"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 1.232 1.232 -5.688 1.232 -5.688 -5.688 -0.436 -5.688 -6.493 -6.493 1.232 -5.688 1.232 1.232 1.232 1.232 1.232 -5.688 0.790 -0.436 0.790 2.224 -0.436 2.224 -5.054 -5.054 -0.436 1.232 -5.688 1.232 -5.688 -4.492 1.232 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="44">2.00 2.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 1.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="44">4 3 4 13 22 9 9 20 15 21 14 14 3 21 10 108 5 103 102 10 2 15 22 2 13 20 8 104 109 105 106 108 107 105 104 109 11 16 16 11 15 5 19 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="44">W W W W W W W W W W W W W W W Cs W H H W W W W W W W W Tc Cs Tc P Cs P Tc Tc Cs W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.021</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="32">4.74 4.29 3.74 3.42 3.00 2.44 2.29 2.25 2.24 2.16 2.16 2.08 2.01 1.96 1.89 1.86 1.81 1.76 1.71 1.63 1.39 1.38 1.35 1.34 1.26 1.23 1.22 1.15 1.09 1.09 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 2 2 1 1 2 2 3 2 3 1 3 3 2 2 1 2 1 2 1 2 2 1 1 1 1 2 3 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S D:z2 D:xz S S S S S D:x2-y2 S S S P:y D:x2-y2 S D:xy S D:z2 S S D:x2-y2 D:yz D:xz D:yz P:z S S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -4.492 -4.492 -5.688 -5.688 1.232 -5.688 1.232 -4.492 1.232 1.232 -5.688 -0.436 -4.492 -5.688 -4.492 -5.688 -4.492 -5.688 -5.688 -4.492 0.031 -4.492 0.031 -0.436 1.232 1.232 -2.078 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 0.00 2.00 0.00 0.80 0.00 0.00 2.00 0.00 0.80 2.00 0.80 2.00 0.80 2.00 2.00 0.80 0.00 0.80 0.00 0.00 0.00 0.00 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">11 2 14 21 11 19 22 16 14 19 11 16 21 2 13 109 5 5 2 8 22 9 4 19 109 8 108 108 22 13 109 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W W W Cs W W W W W W W W Cs W Cs Cs W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">533</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">14.32 14.30 4.71 4.57 4.40 4.30 3.92 3.86 3.56 3.41 2.97 2.92 2.72 2.13 1.87 1.62 1.50 1.49 1.43 -1.43 1.16 -1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 3 1 2 2 1 1 1 3 3 2 2 2 3 3 2 2 1 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S D:xy S S D:yz D:xy D:yz S S S S P:y S S S S D:yz P:x S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.215 0.215 0.031 -5.688 -5.688 0.031 0.031 0.031 1.232 1.232 -5.688 -5.688 -0.436 1.232 1.232 -5.688 -5.688 -4.492 -0.436 -2.078 -0.436 -2.078</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.80 0.00 1.00 0.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">108 109 108 16 19 109 109 108 19 16 11 2 108 11 2 14 21 7 109 108 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs W W Cs Cs Cs W W W W Cs W W W W W Cs Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.115</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="31">4.87 4.35 4.03 3.50 3.21 3.17 2.87 2.87 2.64 2.55 2.54 2.23 2.05 1.96 1.89 1.79 1.72 1.68 1.59 1.54 1.54 1.48 1.41 1.40 1.34 1.34 1.20 1.20 1.18 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">2 3 2 3 1 2 2 3 3 1 1 1 1 2 2 2 2 1 2 3 1 3 1 1 1 2 3 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S D:z2 S S S S D:yz D:x2-y2 D:xz D:xz P:x S P:z S D:x2-y2 S S D:xy S D:x2-y2 D:xy D:z2 S S P:x S D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 1.232 0.031 -5.688 -5.688 1.232 1.232 0.031 0.031 0.031 -4.492 -0.436 -5.688 -0.436 -5.688 -4.492 -5.688 1.232 -4.492 1.232 0.031 0.031 -4.492 -5.688 1.232 -0.436 -5.688 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 2.00 0.00 2.00 0.80 2.00 0.00 0.80 0.00 0.00 0.00 0.80 2.00 0.00 0.00 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">14 14 21 21 109 4 9 4 9 108 108 109 8 109 16 108 19 5 12 16 13 19 109 108 22 2 2 108 18 108 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W Cs W W W W Cs Cs Cs W Cs W Cs W W W W W W Cs Cs W W W Cs W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.224</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">535</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.28 6.35 6.34 3.60 3.49 3.43 3.31 3.21 2.89 2.79 2.27 1.84 1.63 1.60 1.55 1.42 1.24 1.20 1.14 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 3 3 1 2 3 2 3 2 2 1 1 1 2 2 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:z2 S S D:xz S S S S S S D:xy D:x2-y2 D:yz P:z S D:x2-y2 D:xz D:yz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.031 0.215 0.215 0.031 -5.688 1.232 -5.688 1.232 -5.688 -5.688 0.031 -4.492 0.031 -0.436 -5.688 -4.492 0.031 -4.492 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.80 0.00 0.00 2.00 0.80 0.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">109 108 109 108 12 7 18 1 1 7 108 14 108 109 5 12 109 18 8 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Cs Cs Cs Cs W W W W W W Cs 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">1.233</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">536</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">13.68 12.45 5.18 5.15 3.34 2.78 2.48 2.47 2.11 1.63 1.42 1.39 1.29 1.26 1.20 1.16 1.16 1.08 1.06 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 2 1 1 2 2 1 1 3 1 1 2 2 2 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:xy D:xy S D:x2-y2 S S S S D:x2-y2 S D:x2-y2 P:x P:y S P:z S S S D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">0.031 0.031 0.031 0.031 0.790 0.031 -5.054 0.790 -5.688 -5.054 -4.492 1.232 0.031 -5.485 -0.436 -5.688 -0.436 -5.688 -6.493 -5.688 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.80 0.00 0.00 1.00 0.00 2.00 0.00 2.00 1.00 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">109 108 108 109 104 109 104 105 10 105 11 16 108 107 109 18 108 7 102 3 5 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">Cs Cs Cs Cs Tc Cs Tc Tc W Tc W W Cs P Cs W Cs W H W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.249</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">537</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.67 4.55 4.14 3.61 3.59 2.86 2.44 2.20 1.97 1.91 1.83 1.82 1.56 1.56 1.53 1.53 1.50 1.48 1.45 1.42 1.41 1.28 1.27 1.15 1.13 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 1 1 1 3 1 3 1 1 1 2 1 2 1 2 1 1 2 2 2 2 2 1 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S D:xy D:z2 D:xy S D:xz S D:z2 D:x2-y2 D:z2 S D:yz P:y D:yz P:x D:xy D:yz S S S S S D:x2-y2 D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">0.215 0.215 0.031 0.031 0.031 1.232 0.031 1.232 -4.492 0.031 0.031 -5.688 -4.492 -0.436 -4.492 -0.436 -4.492 0.031 -5.688 -5.688 -5.688 -5.688 -5.688 0.031 -4.492 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 0.80 0.00 0.80 0.00 0.80 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">108 109 108 109 109 12 109 18 15 108 108 3 12 108 1 109 20 108 12 1 10 7 4 109 7 22 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs Cs Cs Cs Cs W Cs W W Cs Cs W W Cs W Cs W Cs 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">1.315</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="25">7.81 6.12 6.10 5.93 4.47 4.06 3.06 2.77 2.55 2.42 2.27 2.02 1.97 1.97 1.64 1.63 -1.40 -1.38 1.36 1.29 1.21 1.19 1.19 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 2 1 2 2 1 2 3 3 1 3 2 3 2 1 1 2 2 2 3 1 3 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy S D:xz S S D:yz S S S D:yz S S S S D:z2 D:z2 S S P:y S D:xy S P:x D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 -5.688 0.031 -5.688 -5.688 0.031 -5.688 1.232 1.232 0.031 0.215 -5.688 0.215 -5.688 0.031 0.031 -2.078 -2.078 -0.436 1.232 0.031 1.232 -5.485 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 1.00 1.00 0.00 0.00 0.00 0.00 1.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">108 15 109 20 10 109 3 22 13 108 108 22 109 13 108 109 108 109 109 10 109 15 107 4 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs W Cs W W Cs W W W Cs Cs W Cs W Cs Cs Cs Cs Cs W Cs W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.350</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="28">6.28 5.70 2.97 2.86 2.48 2.40 2.25 2.23 2.16 2.12 2.11 2.06 2.02 1.86 1.80 1.75 1.61 1.60 1.58 1.52 1.45 1.43 1.26 1.20 1.16 1.16 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 2 2 2 1 1 2 2 1 3 2 3 2 3 1 3 2 2 3 1 3 2 1 1 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S D:z2 D:z2 S S D:yz S S S S S D:yz S S S S D:xy S S D:x2-y2 D:yz S S D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 0.031 -4.492 -5.688 -5.688 0.031 1.232 -5.688 1.232 -5.688 1.232 -4.492 1.232 -5.688 -5.688 1.232 -4.492 1.232 -5.688 -4.492 -4.492 1.232 1.232 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 2.00 2.00 0.00 0.80 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 2.00 2.00 0.00 0.80 0.00 2.00 0.80 0.80 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">15 20 11 2 108 15 6 1 109 11 16 1 19 14 12 7 7 17 2 20 21 14 5 18 16 19 11 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W Cs W W W Cs W W W W W W W 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">1.360</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="32">6.82 6.34 2.40 2.37 2.23 2.14 2.11 2.09 2.05 2.00 1.88 1.82 1.70 1.69 1.68 1.68 1.67 1.66 1.44 1.43 1.43 1.41 1.40 1.34 1.33 1.24 1.22 1.15 1.12 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">2 2 3 2 2 2 1 3 3 2 3 2 3 1 1 1 1 1 2 1 2 1 3 2 1 2 2 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">S S S S S S D:yz S S S S S S D:xz D:x2-y2 D:yz D:x2-y2 D:x2-y2 S D:xz S D:x2-y2 S S D:yz S S D:z2 D:yz S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -5.688 -5.688 -5.688 -4.492 1.232 1.232 -5.688 1.232 -5.688 1.232 0.031 -4.492 -4.492 0.031 -4.492 -5.688 0.031 -5.688 -4.492 1.232 -5.688 -4.492 -5.688 -5.688 -4.492 -4.492 -14.028 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">2.00 2.00 0.00 2.00 2.00 2.00 0.80 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.80 0.80 0.00 0.80 2.00 0.00 2.00 0.80 0.00 2.00 0.80 2.00 2.00 0.80 0.80 2.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">10 3 9 19 16 6 7 4 18 18 16 9 19 108 3 10 109 4 11 109 2 10 12 4 1 12 17 22 9 106 10 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W W W W Cs W W Cs W W Cs W W W W W W W W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.383</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="26">5.65 3.80 3.37 3.25 3.23 3.18 2.92 2.84 2.56 2.25 2.09 1.93 1.72 1.71 1.62 1.53 1.48 1.47 1.46 1.42 1.40 1.37 1.28 1.17 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 2 3 3 3 3 2 3 1 2 1 1 2 2 3 1 1 1 1 1 2 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S S S D:x2-y2 S D:x2-y2 D:xz S S S D:xz D:z2 P:y D:xy D:xy P:x S P:z D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 0.215 1.232 0.215 -5.688 1.232 -4.492 -5.688 0.031 0.031 -5.688 -5.688 1.232 -4.492 -4.492 -9.089 -4.492 0.031 -0.436 -5.688 -5.485 -4.492 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 2.00 0.00 0.00 2.00 2.00 0.00 0.80 0.80 1.33 0.80 0.00 0.00 2.00 1.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">21 14 21 4 108 5 109 14 9 5 4 108 109 9 18 8 8 22 49 13 109 109 5 106 2 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W Cs W Cs W W W W Cs Cs W W W W W O W Cs Cs W P W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.423</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">542</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.09 6.24 3.92 3.87 2.75 2.73 2.71 2.62 1.94 1.77 1.77 1.77 1.62 1.62 1.50 1.43 1.43 1.40 1.37 1.36 1.30 1.28 1.27 1.26 1.20 1.20 1.17 1.11 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 2 2 2 2 3 3 2 3 3 1 3 3 1 3 2 2 1 2 1 3 1 3 1 3 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:xy S S P:x P:y S S S S S D:z2 S S D:xz S S S P:z P:z D:xz S D:z2 S P:z S S D:x2-y2 D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">0.031 0.031 -5.688 -5.688 -0.436 -0.436 1.232 1.232 -5.688 1.232 1.232 -4.492 0.215 1.232 -4.492 1.232 -5.688 -5.688 -5.485 -0.436 -4.492 1.232 -4.492 1.232 -5.485 1.232 -5.688 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 0.80 0.00 2.00 2.00 1.00 0.00 0.80 0.00 0.80 0.00 1.00 0.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">108 109 18 12 109 108 10 3 20 15 8 11 109 18 2 14 13 15 107 108 19 20 17 5 106 12 3 19 16 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Cs Cs W W Cs Cs W W W W W W Cs W W W W W P Cs W W W W P W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.471</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">543</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.37 5.14 5.10 4.87 4.53 3.98 3.77 3.19 3.00 2.98 2.79 2.38 2.37 1.89 1.67 1.48 1.47 1.46 1.46 1.45 1.41 1.33 1.16 1.13 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 3 2 3 2 2 3 2 3 1 2 1 1 2 3 3 1 3 2 1 2 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy S S S S S S S S D:xy S S S S S S D:z2 S S D:yz P:y S S D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 1.232 -5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 0.031 -5.688 -6.493 -6.493 -5.688 1.232 1.232 0.031 1.232 -5.688 0.031 -0.436 1.232 1.232 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 2.00 1.00 1.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">108 12 12 22 6 17 13 18 18 109 22 102 103 13 8 7 109 6 1 109 108 1 4 108 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs W W W W W W W W Cs W H H W W W Cs W W Cs Cs W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.494</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">5.55 5.43 3.78 3.63 3.55 3.38 3.33 3.02 2.81 2.20 2.17 2.11 2.01 1.81 1.76 1.56 1.53 1.33 1.32 1.22 1.11 1.10 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 3 3 3 1 2 2 1 2 3 1 2 2 1 1 2 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:xz D:x2-y2 S S S D:yz S S D:yz S S D:x2-y2 P:y P:x D:z2 P:x P:z S P:y D:z2 S D:xy D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">0.031 0.031 0.031 1.232 0.215 1.232 0.031 -5.688 -5.688 0.031 -5.688 0.215 0.031 -0.436 -0.436 -4.492 -5.485 -0.436 -5.688 -5.485 -4.492 -5.054 -4.492 -4.492 -5.054</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 1.00 0.00 2.00 1.00 0.80 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">109 108 108 15 108 20 109 20 15 108 7 109 109 109 108 11 106 109 1 107 15 104 20 3 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">Cs Cs Cs W Cs W Cs W W Cs W Cs Cs Cs Cs W P Cs W P W Tc W W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.543</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="24">10.36 9.93 6.34 5.79 5.78 4.19 4.10 3.94 2.76 2.70 2.43 2.17 2.09 1.97 1.96 1.89 1.77 1.72 1.70 1.16 1.07 1.06 1.05 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 2 1 3 2 3 1 2 2 2 2 1 2 1 2 3 3 3 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S D:yz S P:y S D:yz S S P:z S D:xz S D:yz S S S S D:xy D:xz D:z2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 0.031 1.232 -0.436 1.232 0.031 -5.688 -5.688 -0.436 -5.688 0.031 -5.688 -4.492 -5.688 1.232 1.232 1.232 0.031 -4.492 0.031 0.031 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.80 2.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">5 1 22 109 1 108 5 108 13 8 108 10 108 3 18 4 22 10 13 109 21 108 109 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W Cs W Cs W Cs W W Cs W Cs W W W W W W Cs W Cs Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.549</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">546</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">9.78 9.57 8.53 7.37 6.00 5.64 4.95 4.28 3.78 2.98 2.36 2.02 1.86 1.84 1.37 1.37 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 2 2 2 3 1 2 1 3 1 2 1 1 2 1 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:yz S S P:z S D:yz S D:xz S D:xy S D:x2-y2 D:x2-y2 P:y D:z2 S P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">0.031 -5.688 -5.688 -0.436 1.232 0.031 -5.688 0.031 1.232 0.031 -5.688 -4.492 -4.492 -0.436 0.031 1.232 -0.436 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.00 2.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">108 7 8 109 7 109 13 109 8 108 9 14 12 109 109 13 108 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs W W Cs W Cs W Cs W Cs W W W Cs Cs W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.605</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">547</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.09 5.26 5.03 4.71 4.52 4.29 3.46 3.46 3.32 2.71 2.58 2.23 2.21 2.04 1.83 1.78 1.64 1.56 1.29 1.24 1.18 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 2 2 2 2 3 3 2 1 2 2 3 2 3 1 2 3 3 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 P:z P:y S S S S S D:yz S P:x S S S D:xz P:x S S P:x S S D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.031 -0.436 -0.436 -5.688 -5.688 1.232 1.232 -5.688 0.031 -5.688 -0.436 1.232 -5.688 1.232 0.031 -0.436 1.232 1.232 -5.485 1.232 -5.688 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">109 109 108 18 5 18 5 8 108 12 109 12 13 1 108 108 8 19 106 2 1 4 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs Cs W W W W W Cs W Cs W W W Cs Cs W W P W W W Cs</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">548</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.54 3.22 3.12 2.97 2.87 2.46 2.42 2.41 2.16 2.12 2.08 2.05 2.03 2.02 1.99 1.67 1.67 1.60 1.60 1.56 1.49 1.47 1.45 1.45 1.42 1.39 1.23 1.17 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 3 3 3 2 1 3 1 3 3 3 1 3 2 2 2 1 1 2 3 3 1 1 3 2 2 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:z2 S S S S D:z2 S P:z S S S D:xy S S S S D:yz D:xz S S S S P:x S S P:y S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">0.031 0.031 1.232 1.232 1.232 -5.688 0.031 1.232 -5.485 1.232 1.232 1.232 0.031 1.232 -5.688 -5.688 -5.688 -4.492 0.031 -5.688 1.232 1.232 -6.493 -5.485 1.232 -5.688 -0.436 -6.493 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.80 0.00 2.00 0.00 0.00 1.00 1.00 0.00 2.00 0.00 1.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">109 108 16 8 12 12 109 22 107 15 17 13 108 6 15 6 22 7 109 17 19 7 102 106 11 8 108 103 20 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Cs Cs W W W W Cs W P W W W Cs W W W W W Cs W W W H P W W Cs H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">1.773</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">549</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.61 9.23 7.18 6.62 5.01 4.21 4.15 3.93 3.82 2.83 2.72 2.38 2.21 2.02 -1.98 1.91 1.89 1.77 1.66 1.27 1.14 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">2 3 2 2 1 1 1 1 1 1 1 2 2 2 2 3 3 2 1 3 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S D:z2 S D:x2-y2 D:xz D:xy D:yz S P:z S S S S S S S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -5.688 -6.493 0.031 -5.054 0.031 0.031 0.031 0.031 -5.688 -0.436 -5.688 -2.078 0.215 1.232 -5.688 -14.028 1.232 4.055 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 0.00 2.00 2.00 1.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 1.00 0.00 0.00 2.00 2.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">10 10 17 15 102 109 104 109 108 108 109 9 108 20 109 108 17 13 106 13 9 10 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W H Cs Tc Cs Cs Cs Cs W Cs W Cs Cs W W P W W W W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
