<?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">2025-08-07T11:04:20.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">SINGLE POINT</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBEc PBEx</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.0">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.1">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.2">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.3">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.4">TZP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string" id="copy.5">TZP</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.347183"
                        y3="6.075645"
                        z3="0.232869"/>
                  <atom elementType="W"
                        id="a2"
                        x3="2.991833"
                        y3="5.853211"
                        z3="1.885260"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.813332"
                        y3="3.727980"
                        z3="1.058914"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.015912"
                        y3="2.768941"
                        z3="-0.847835"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.034820"
                        y3="6.941055"
                        z3="3.908154"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.087555"
                        y3="4.590033"
                        z3="7.908810"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.841782"
                        y3="0.395170"
                        z3="4.902589"/>
                  <atom elementType="W"
                        id="a8"
                        x3="3.499063"
                        y3="2.478290"
                        z3="0.688606"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-13.763847"
                        y3="8.375591"
                        z3="11.118626"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.398167"
                        y3="4.596041"
                        z3="4.685389"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.692946"
                        y3="5.818621"
                        z3="11.154203"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.348138"
                        y3="3.526063"
                        z3="2.724977"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.815515"
                        y3="6.630585"
                        z3="3.158613"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.695368"
                        y3="6.255456"
                        z3="5.586807"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.870786"
                        y3="2.874580"
                        z3="-0.510556"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.058728"
                        y3="5.041940"
                        z3="3.301871"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.177781"
                        y3="5.421618"
                        z3="0.282159"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.627779"
                        y3="1.999447"
                        z3="1.938449"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.463619"
                        y3="3.720158"
                        z3="0.468407"/>
                  <atom elementType="O"
                        id="a20"
                        x3="1.567756"
                        y3="6.012647"
                        z3="0.588250"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.023465"
                        y3="4.684656"
                        z3="-1.118478"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.536399"
                        y3="6.793382"
                        z3="2.017365"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-3.068834"
                        y3="4.536056"
                        z3="2.749700"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.760699"
                        y3="4.361226"
                        z3="0.721123"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.092057"
                        y3="1.141942"
                        z3="0.211835"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.259567"
                        y3="4.420973"
                        z3="3.875500"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.036065"
                        y3="4.995614"
                        z3="5.588923"/>
                  <atom elementType="O"
                        id="a28"
                        x3="1.871289"
                        y3="3.774270"
                        z3="2.557268"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.789056"
                        y3="6.503556"
                        z3="4.471417"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.052037"
                        y3="2.172266"
                        z3="-2.482346"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.000078"
                        y3="2.834712"
                        z3="-0.450078"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.037763"
                        y3="7.169389"
                        z3="1.424749"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-1.246620"
                        y3="4.486245"
                        z3="6.329515"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.376644"
                        y3="3.873988"
                        z3="1.391644"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.508492"
                        y3="7.491234"
                        z3="-0.769367"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-7.918830"
                        y3="3.750559"
                        z3="10.772401"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-0.005350"
                        y3="8.664229"
                        z3="4.166432"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.045474"
                        y3="6.127832"
                        z3="10.099650"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.028480"
                        y3="4.255067"
                        z3="9.253353"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.109827"
                        y3="2.029004"
                        z3="3.085766"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.230737"
                        y3="3.252255"
                        z3="7.320721"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.070366"
                        y3="7.228734"
                        z3="12.116710"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-6.850817"
                        y3="6.076562"
                        z3="5.319281"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-8.889175"
                        y3="9.405302"
                        z3="6.315481"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.610936"
                        y3="2.458000"
                        z3="6.005354"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.521515"
                        y3="8.858036"
                        z3="7.953846"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.354884"
                        y3="-0.293307"
                        z3="3.465044"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.715860"
                        y3="1.704846"
                        z3="4.567703"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.521462"
                        y3="7.176610"
                        z3="6.902649"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.709469"
                        y3="6.147735"
                        z3="5.020465"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.811189"
                        y3="6.017139"
                        z3="2.297010"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.543432"
                        y3="9.932346"
                        z3="9.995222"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.489767"
                        y3="0.011672"
                        z3="3.876610"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.453577"
                        y3="10.212157"
                        z3="7.701304"/>
                  <atom elementType="W"
                        id="a55"
                        x3="-11.348624"
                        y3="7.776205"
                        z3="10.689329"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.454543"
                        y3="4.215162"
                        z3="5.372965"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.425175"
                        y3="5.398964"
                        z3="8.464598"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.301158"
                        y3="6.607185"
                        z3="8.559112"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-6.785452"
                        y3="9.610339"
                        z3="9.325546"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.061029"
                        y3="9.136193"
                        z3="11.712415"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.701883"
                        y3="6.405937"
                        z3="5.369404"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.669906"
                        y3="7.935780"
                        z3="9.458607"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-10.795626"
                        y3="8.898019"
                        z3="6.397093"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.495799"
                        y3="5.470286"
                        z3="7.809806"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.495965"
                        y3="3.946670"
                        z3="7.022343"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.180665"
                        y3="7.326648"
                        z3="6.399206"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-8.094233"
                        y3="1.716436"
                        z3="6.486716"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.691452"
                        y3="8.107036"
                        z3="4.877412"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.130770"
                        y3="9.995279"
                        z3="8.153211"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.695450"
                        y3="7.890807"
                        z3="8.837751"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-4.799225"
                        y3="7.578052"
                        z3="6.753758"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.049693"
                        y3="0.830676"
                        z3="5.059590"/>
                  <atom elementType="W"
                        id="a73"
                        x3="3.667319"
                        y3="3.343862"
                        z3="4.184331"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-2.109423"
                        y3="1.041666"
                        z3="3.548772"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.712118"
                        y3="0.033957"
                        z3="1.669448"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.646683"
                        y3="4.406206"
                        z3="6.232778"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-8.921885"
                        y3="4.456621"
                        z3="5.953146"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-8.723507"
                        y3="7.488170"
                        z3="9.765907"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.962446"
                        y3="8.224392"
                        z3="11.667391"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.743608"
                        y3="6.679507"
                        z3="8.306894"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.437020"
                        y3="9.451399"
                        z3="10.505163"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-1.071642"
                        y3="-0.184655"
                        z3="2.296047"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-4.922985"
                        y3="1.329146"
                        z3="6.343434"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.031665"
                        y3="7.109485"
                        z3="7.277766"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.529772"
                        y3="2.574007"
                        z3="11.996857"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.415647"
                        y3="5.664640"
                        z3="6.732707"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.520570"
                        y3="11.623496"
                        z3="10.417419"/>
                  <atom elementType="O"
                        id="a88"
                        x3="1.020239"
                        y3="-1.493489"
                        z3="0.894411"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.688463"
                        y3="5.126946"
                        z3="8.847108"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.357542"
                        y3="5.876401"
                        z3="10.410820"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.105179"
                        y3="7.432772"
                        z3="12.083585"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.503847"
                        y3="0.980277"
                        z3="1.266754"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.111437"
                        y3="3.147836"
                        z3="5.140407"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.545862"
                        y3="-0.241659"
                        z3="6.339344"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.771993"
                        y3="5.699581"
                        z3="3.326563"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.790943"
                        y3="7.274766"
                        z3="13.836677"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-8.965860"
                        y3="10.899103"
                        z3="5.422572"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.333719"
                        y3="7.019765"
                        z3="11.377343"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.133650"
                        y3="3.128548"
                        z3="7.979350"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.009479"
                        y3="9.247977"
                        z3="6.735725"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-9.872968"
                        y3="3.524104"
                        z3="10.624078"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.508710"
                        y3="3.379490"
                        z3="9.520589"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.559679"
                        y3="2.550535"
                        z3="4.584164"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.261785"
                        y3="2.506250"
                        z3="2.446051"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.209210"
                        y3="4.583700"
                        z3="10.422895"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.754511"
                        y3="2.694924"
                        z3="9.148289"/>
                  <atom elementType="O"
                        id="a107"
                        x3="4.960016"
                        y3="1.868996"
                        z3="-0.431961"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.344278"
                        y3="5.339812"
                        z3="11.817241"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.878637"
                        y3="0.951938"
                        z3="-0.776474"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a17 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a21 a1" order="S"/>
                  <bond atomRefs2="a22 a1" order="S"/>
                  <bond atomRefs2="a35 a1" order="S"/>
                  <bond atomRefs2="a13 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a20 a2" order="S"/>
                  <bond atomRefs2="a24 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a15 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a23 a3" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a21 a4" order="S"/>
                  <bond atomRefs2="a25 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a31 a4" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a22 a5" order="S"/>
                  <bond atomRefs2="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="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="a26 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="a83 a27" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a85 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="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="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="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="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="a86 a80" 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*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/rCs2H2O79P2Tc2W22/c3-82(4,5)31-84-33-86(9)37-88(11,35-84)41-92(15)47-90(13,39-86)49-94(17,51-92)57-100(23)61-96(19,43-86,53-90)67-104(69-100)27-1(77(84)104)28-105-68-97(20)44-87(10)34-85(78(1)105,32-83(6,7)8)36-89(12,38-87)42-93(16)48-91(14,40-87,54-97)50-95(18,52-93)58-101(24,62-97,70-105)66-103(26,60-95)64-99(22,46-89,56-93)72-107(74-103,76-105)30-2(79(84)85,81(85)107)29-106(75-104,80(2)84)71-98(21,45-88,55-92)63-102(25,59-94,65-100)73-106/h17-18H">
                  <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;1;2;3;4;5;36;38;39;41;42;44;46;49;50;52;72;73;74;75;76;8;55/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4.1,5.4;1.1,2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OWHTcO1P4OOOOOOOOOOO3OOOO3O1OO1OO1OO1O1WO1WWO1WWO3WOWOOWWCs4WOO1WOOP4OOOOOOO3O1OOOOOWWWWWOO1OOOOCs5O1O1TcO1O1O1OOOO1O1OO1O1OOOOO1O3OOOOOH/rB:;;;;;;;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s10s12;s10;s12;s5s10;s4;s4s8;s2;s10;s12;s1;;s5;s11;;s12;;;;;;;;;;s43;s19s23s43;;;s46;;;s38;;s46s52;s42s52;s49s50;s38s46;s44s49;s39s49;s41;s49;s41;s44s50;s44s52;s49s55;s46;s7s45s47s48;s16s48s56;s7s18s53;s25s47;s6s14s33s45s56;s41s50;s58;s9s55;s58;s52s55;s74s75;s27s53s65s67;s58;s36;s27s43s57s65s71s80;s52;s75;s58;s39s55;s42s55;s8s75;s73;s72;s50s51;s42;s44;s38s42;s39s41;s44s46;s36s39;s39;s10s74s83;s8s73;s36s38;s36s41;s8;s36s42;s107;/rC:-.3472,6.0756,.2329;2.9918,5.8532,1.8853;-2.8133,3.728,1.0589;.0159,2.7689,-.8478;-.0348,6.9411,3.9082;1.0876,4.59,7.9088;-.8418,.3952,4.9026;3.4991,2.4783,.6886;-13.7638,8.3756,11.1186;-2.3982,4.596,4.6854;-3.6929,5.8186,11.1542;.3481,3.5261,2.725;1.8155,6.6306,3.1586;.6954,6.2555,5.5868;-1.8708,2.8746,-.5106;4.0587,5.0419,3.3019;-2.1778,5.4216,.2822;-2.6278,1.9994,1.9384;-4.4636,3.7202,.4684;1.5678,6.0126,.5883;.0235,4.6847,-1.1185;-.5364,6.7934,2.0174;-3.0688,4.5361,2.7497;3.7607,4.3612,.7211;.0921,1.1419,.2118;-.2596,4.421,3.8755;-4.0361,4.9956,5.5889;1.8713,3.7743,2.5573;-1.7891,6.5036,4.4714;.052,2.1723,-2.4823;2.0001,2.8347,-.4501;4.0378,7.1694,1.4247;-1.2466,4.4862,6.3295;-.3766,3.874,1.3916;-.5085,7.4912,-.7694;-7.9188,3.7506,10.7724;-.0053,8.6642,4.1664;-5.0455,6.1278,10.0997;-11.0285,4.2551,9.2534;.1098,2.029,3.0858;-8.2307,3.2523,7.3207;-8.0704,7.2287,12.1167;-6.8508,6.0766,5.3193;-8.8892,9.4053,6.3155;.6109,2.458,6.0054;-5.5215,8.858,7.9538;1.3549,-.2933,3.465;2.7159,1.7048,4.5677;-11.5215,7.1766,6.9026;-8.7095,6.1477,5.0205;-5.8112,6.0171,2.297;-8.5434,9.9323,9.9952;-3.4898,.0117,3.8766;-4.4536,10.2122,7.7013;-11.3486,7.7762,10.6893;2.4545,4.2152,5.373;-4.4252,5.399,8.4646;-8.3012,6.6072,8.5591;-6.7855,9.6103,9.3255;-8.061,9.1362,11.7124;-10.7019,6.4059,5.3694;-4.6699,7.9358,9.4586;-10.7956,8.898,6.3971;-11.4958,5.4703,7.8098;-6.496,3.9467,7.0223;-13.1807,7.3266,6.3992;-8.0942,1.7164,6.4867;-8.6915,8.107,4.8774;-9.1308,9.9953,8.1532;-11.6954,7.8908,8.8378;-4.7992,7.5781,6.7538;1.0497,.8307,5.0596;3.6673,3.3439,4.1843;-2.1094,1.0417,3.5488;.7121,.034,1.6694;.6467,4.4062,6.2328;-8.9219,4.4566,5.9531;-8.7235,7.4882,9.7659;-12.9624,8.2244,11.6674;-6.7436,6.6795,8.3069;-10.437,9.4514,10.5052;-1.0716,-.1847,2.296;-4.923,1.3291,6.3434;-9.0317,7.1095,7.2778;-7.5298,2.574,11.9969;-5.4156,5.6646,6.7327;-8.5206,11.6235,10.4174;1.0202,-1.4935,.8944;-8.6885,5.1269,8.8471;-11.3575,5.8764,10.4108;-10.1052,7.4328,12.0836;2.5038,.9803,1.2668;5.1114,3.1478,5.1404;1.5459,-.2417,6.3393;-8.772,5.6996,3.3266;-7.7909,7.2748,13.8367;-8.9659,10.8991,5.4226;-6.3337,7.0198,11.3773;-10.1336,3.1285,7.9794;-7.0095,9.248,6.7357;-9.873,3.5241,10.6241;-12.5087,3.3795,9.5206;-2.5597,2.5505,4.5842;4.2618,2.5063,2.4461;-6.2092,4.5837,10.4229;-7.7545,2.6949,9.1483;4.96,1.869,-.432;-8.3443,5.3398,11.8172;4.8786,.9519,-.7765;/R:/0/N:51,83,28,34,40,78,84,89,37,54,6,11,32,87,93,96,107,79,35,97,94,85,30,66,88,102,19,95,53,67,26,80,29,71,33,57,14,62,13,59,56,98,22,100,45,105,16,60,24,81,104,91,20,69,48,108,31,70,92,90,21,63,47,101,25,64,17,68,15,61,7,106,82,99,18,77,23,43,27,103,65,12,58,10,86,5,46,76,38,2,52,73,42,8,55,1,44,72,36,4,49,75,39,3,50,74,41/E:(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)(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)/CRV:1.4,2.5,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,19.1,20.1,21.1,22.1,23.1,24.1,25.1,26.1,77.3,78.3,79.3,80.3,81.3,82.4,83.4,84.6,85.6</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="parameters2">
                  <list cmlx:templateRef="scf"/>
                  <list cmlx:templateRef="spin">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Unrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="solvation" dictRef="cc:userDefinedModule">
                  <list id="cosmo">
                     <scalar dataType="xsd:double" dictRef="a:gdsf">0.00000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ccnv">1.0E-08</scalar>
                     <scalar dataType="xsd:double" dictRef="a:ncix">1000</scalar>
                     <scalar dataType="xsd:string" dictRef="a:cosmomethod">conjugate-gradient</scalar>
                     <scalar dataType="xsd:double" dictRef="a:epsl">78.39000</scalar>
                     <scalar dataType="xsd:double" dictRef="a:rsol" units="nonsi:angstrom">1.93000</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:nfdiv">1</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:ndiv">3</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoArea">3500.69814706</scalar>
                     <scalar dataType="xsd:double" dictRef="a:cosmoVolume">11360.44419288</scalar>
                     <scalar dataType="xsd:double" dictRef="a:solvent" units="nonsi:angstrom">Water</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="fragment.files">
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="W" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Tungsten</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4f</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="O" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Oxygen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">1s</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="H" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Hydrogen</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Tc" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Technetium</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4p</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="P" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Phosphorus</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">2p</scalar>
                        </atom>
                     </list>
                  </module>
                  <module cmlx:templateRef="atom">
                     <list cmlx:templateRef="elementType">
                        <atom elementType="Cs" id="a1">
                           <scalar dataType="xsd:string" dictRef="cc:elementName">Cesium</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:basis">TZP</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:contraction">4d</scalar>
                        </atom>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="251" startLine="249">
                     <scalar dataType="xsd:string" dictRef="cc:functional">PW92                                    == Not Default ==</scalar>
                  </list>
                  <list cmlx:templateRef="spin" endLine="255" startLine="253">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">UNrestricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="264" startLine="257">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task SinglePoint</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.3471813246329788 6.075612624398928 0.2328681518468166 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.991816883277564 5.853180039034737 1.885249612559116 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.813317010671494 3.727960393219694 1.058908624713563 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.01591162244364431 2.768926274753362 -0.8478306614887138 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.0348202251900234 6.941017994415131 3.908133814436401 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.087549711973259 4.59000929185491 7.90876816433523 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.8417776349627425 0.395167895022177 4.902563253342223 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.49904498165079 2.478277145508284 0.6886023411664387 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H -13.76377408491784 8.375547050203059 11.1185677545487 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -2.398154804138452 4.596016517080967 4.68536452938353 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.692926180498203 5.818590213820099 11.15414424579581 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P 0.3481361954394407 3.52604392542435 2.7249628887335 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.81550563707927 6.63054968027665 3.158596501371754 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.6953646198415334 6.255423488854863 5.586777114436921 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.870775697624155 2.874565235634913 -0.5105533723511555 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.058706793592408 5.04191314674777 3.30185395502063 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.177769901311609 5.42158966632272 0.2821570448773466 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.627764943921834 1.999436589829569 1.938438389762985 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.463595379225419 3.720138143628214 0.4684041595393259 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.567747460099321 6.012614978698451 0.5882472341763433 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.0234648147657524 4.684630912971138 -1.118471917592369 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.5363960712900576 6.793346569153026 2.017354189779093 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.068817613665177 4.5360325355559 2.749685672934293 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.760679087189541 4.361202671536799 0.7211187908394029 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.09205652464581469 1.141935820565912 0.2118342875746057 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.2595657560125577 4.420949716503285 3.875479644617392 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.036043226585734 4.995587488362642 5.588893864373393 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.871279099265121 3.774249808307687 2.557254286943942 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.789046337223003 6.503521522290407 4.471393257929719 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.05203629482137705 2.172255024807531 -2.482333349416678 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.000067691024331 2.834696836207863 -0.4500760584695059 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.037742171833437 7.169350970005925 1.424741175532612 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.246613517337854 4.486221533736592 6.329481176917649 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.3766421609998289 3.873967469426804 1.391636427000279 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.5084894468384413 7.491194574034474 -0.7693628445865109 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -7.918788426834823 3.750539332561189 10.77234432810234 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.005349904888636861 8.6641831476547 4.166410002975173 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.045447506940618 6.127799846502656 10.09959693185478 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -11.02842227003438 4.255044872343555 9.253304107713669 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.109826129499145 2.028993345350746 3.085749258195438 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.230693217591726 3.252237380152195 7.320682761735497 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.07032343348507 7.228695989162534 12.11664592940434 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.85078085759767 6.076530469559024 5.319252570818545 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.889127994819473 9.405252597055872 6.315447646014198 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.6109330102936805 2.457986726835701 6.005322674271134 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -5.521486042153795 8.857989260357964 7.953804000869885 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.354877329170284 -0.293305385727358 3.465025835124185 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.715845316684684 1.70483747201168 4.567679184100488 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -11.52140117961454 7.176571841658983 6.902612151891607 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.70942338810498 6.14770284959204 5.02043850534062 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Cs -5.811158231444005 6.017107164553245 2.296997533376474 adf.R=2.867</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -8.543387261789878 9.932293902612329 9.99516913718028 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.489748852987755 0.01167241113878493 3.876589437628286 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.453553568989387 10.21210363519624 7.701263008523465 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -11.34856402135723 7.776164234671829 10.68927297109169 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.45452981869713 4.215140201163952 5.372937137161877 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.425151693664899 5.398935106456986 8.464553324261063 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        P -8.301113954232642 6.607150041894305 8.559067214984754 adf.R=2.13</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.785416297861427 9.610288146773918 9.325496775046865 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.060986455123144 9.136145222590162 11.71235279356628 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.70182683237022 6.405903689045088 5.369375446564661 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.669881352951821 7.935737716316492 9.458556983222499 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.79556872692022 8.897972408011077 6.397059557139455 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.49573793519502 5.47025699717386 7.80976527567341 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.495930662243067 3.94664922505439 7.02230588002748 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -13.18059532268689 7.32660967608307 6.399172179717826 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.094189852526473 1.716426673324002 6.486681874273927 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.69140656458927 8.106993297487374 4.877386469264848 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.130721406560625 9.995226068395459 8.153168447367927 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.69538832649817 7.890765608917399 8.837703971540195 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.799199788157503 7.578011661143846 6.753722090318684 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.049687139127603 0.8306717843339525 5.059563153527367 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.667299224547188 3.343844516775305 4.184308502464688 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -2.109412288715426 1.04166023838077 3.548752813337189 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.7121140169255092 0.0339563503336828 1.669439623607025 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.6466794843057498 4.406182761719636 6.232745315241009 adf.R=1.992</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.921837917966711 4.456597406407868 5.953114588167419 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.723460542427318 7.488130847442531 9.765855614293768 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.96237753164642 8.224348520442522 11.66732954212503 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.74357198256749 6.679471674951103 8.306849881503041 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.43696507322856 9.451348691062154 10.50510805723811 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.071636067725204 -0.1846535635326851 2.296034815995923 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Cs -4.922958894402758 1.329139328574818 6.34340026610101 adf.R=2.867</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.031617773209774 7.109447824998135 7.277727326512312 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.529732693335292 2.573993264571915 11.99679401259833 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Tc -5.415618910986878 5.66461034324741 6.732671304628 adf.R=1.967</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.520524931863413 11.62343479875605 10.41736437454868 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.02023372152108 -1.493480956246567 0.8944058001529441 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.688417367499037 5.126919424456186 8.84706163879342 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -11.35748192040095 5.876370503909452 10.41076503875433 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.10512559884086 7.43273294930886 12.08352099460511 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.503833902386813 0.9802716584592781 1.266747487187873 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 5.11140993404957 3.147819050130749 5.140380393599681 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.545853597812746 -0.2416575006697221 6.339310594822535 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.77194634277647 5.699551102927792 3.326545613849047 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.790902118804013 7.27472745743889 13.83660455384466 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.965812523079043 10.89904511407345 5.422543676703667 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.333686042710304 7.019727796428013 11.37728277361217 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -10.13359623104454 3.12853104315634 7.979307611017513 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.009441727554569 9.24792777999035 6.73568903978491 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -9.872915952390439 3.52408540119276 10.62402227444102 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -12.50864402094854 3.379472083920469 9.520538720202639 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.559665205126838 2.550521674877276 4.58414010037701 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.261762467973007 2.506236696949139 2.446038515812103 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -6.209176856235889 4.583675607695615 10.4228399939903 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -7.75447038871073 2.694909578278693 9.148240404966304 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.959989691518184 1.868985752644135 -0.4319589645392527 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -8.34423450400298 5.339783488615375 11.81717906257184 adf.R=1.72</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        H 4.878611529021026 0.9519330821751533 -0.7764698240125683 adf.R=1.30</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -4</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 35 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 32 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 23 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 30 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         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 26 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">         36 101 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 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 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 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 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 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 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">         86 80 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         107 109 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 0.0</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">-4</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:spinPolarization">0</scalar>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="W"
                        id="a1"
                        x3="-0.347183"
                        y3="6.075645"
                        z3="0.232869"/>
                  <atom elementType="W"
                        id="a2"
                        x3="2.991833"
                        y3="5.853211"
                        z3="1.885260"/>
                  <atom elementType="W"
                        id="a3"
                        x3="-2.813332"
                        y3="3.727980"
                        z3="1.058914"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.015912"
                        y3="2.768941"
                        z3="-0.847835"/>
                  <atom elementType="W"
                        id="a5"
                        x3="-0.034820"
                        y3="6.941055"
                        z3="3.908154"/>
                  <atom elementType="O"
                        id="a6"
                        x3="1.087555"
                        y3="4.590033"
                        z3="7.908810"/>
                  <atom elementType="O"
                        id="a7"
                        x3="-0.841782"
                        y3="0.395170"
                        z3="4.902589"/>
                  <atom elementType="W"
                        id="a8"
                        x3="3.499063"
                        y3="2.478290"
                        z3="0.688606"/>
                  <atom elementType="H"
                        id="a9"
                        x3="-13.763847"
                        y3="8.375591"
                        z3="11.118626"/>
                  <atom elementType="Tc"
                        id="a10"
                        x3="-2.398167"
                        y3="4.596041"
                        z3="4.685389"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-3.692946"
                        y3="5.818621"
                        z3="11.154203"/>
                  <atom elementType="P"
                        id="a12"
                        x3="0.348138"
                        y3="3.526063"
                        z3="2.724977"/>
                  <atom elementType="O"
                        id="a13"
                        x3="1.815515"
                        y3="6.630585"
                        z3="3.158613"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.695368"
                        y3="6.255456"
                        z3="5.586807"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-1.870786"
                        y3="2.874580"
                        z3="-0.510556"/>
                  <atom elementType="O"
                        id="a16"
                        x3="4.058728"
                        y3="5.041940"
                        z3="3.301871"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.177781"
                        y3="5.421618"
                        z3="0.282159"/>
                  <atom elementType="O"
                        id="a18"
                        x3="-2.627779"
                        y3="1.999447"
                        z3="1.938449"/>
                  <atom elementType="O"
                        id="a19"
                        x3="-4.463619"
                        y3="3.720158"
                        z3="0.468407"/>
                  <atom elementType="O"
                        id="a20"
                        x3="1.567756"
                        y3="6.012647"
                        z3="0.588250"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.023465"
                        y3="4.684656"
                        z3="-1.118478"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-0.536399"
                        y3="6.793382"
                        z3="2.017365"/>
                  <atom elementType="O"
                        id="a23"
                        x3="-3.068834"
                        y3="4.536056"
                        z3="2.749700"/>
                  <atom elementType="O"
                        id="a24"
                        x3="3.760699"
                        y3="4.361226"
                        z3="0.721123"/>
                  <atom elementType="O"
                        id="a25"
                        x3="0.092057"
                        y3="1.141942"
                        z3="0.211835"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.259567"
                        y3="4.420973"
                        z3="3.875500"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-4.036065"
                        y3="4.995614"
                        z3="5.588923"/>
                  <atom elementType="O"
                        id="a28"
                        x3="1.871289"
                        y3="3.774270"
                        z3="2.557268"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-1.789056"
                        y3="6.503556"
                        z3="4.471417"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.052037"
                        y3="2.172266"
                        z3="-2.482346"/>
                  <atom elementType="O"
                        id="a31"
                        x3="2.000078"
                        y3="2.834712"
                        z3="-0.450078"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.037763"
                        y3="7.169389"
                        z3="1.424749"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-1.246620"
                        y3="4.486245"
                        z3="6.329515"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-0.376644"
                        y3="3.873988"
                        z3="1.391644"/>
                  <atom elementType="O"
                        id="a35"
                        x3="-0.508492"
                        y3="7.491234"
                        z3="-0.769367"/>
                  <atom elementType="W"
                        id="a36"
                        x3="-7.918830"
                        y3="3.750559"
                        z3="10.772401"/>
                  <atom elementType="O"
                        id="a37"
                        x3="-0.005350"
                        y3="8.664229"
                        z3="4.166432"/>
                  <atom elementType="W"
                        id="a38"
                        x3="-5.045474"
                        y3="6.127832"
                        z3="10.099650"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-11.028480"
                        y3="4.255067"
                        z3="9.253353"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.109827"
                        y3="2.029004"
                        z3="3.085766"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-8.230737"
                        y3="3.252255"
                        z3="7.320721"/>
                  <atom elementType="W"
                        id="a42"
                        x3="-8.070366"
                        y3="7.228734"
                        z3="12.116710"/>
                  <atom elementType="O"
                        id="a43"
                        x3="-6.850817"
                        y3="6.076562"
                        z3="5.319281"/>
                  <atom elementType="W"
                        id="a44"
                        x3="-8.889175"
                        y3="9.405302"
                        z3="6.315481"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.610936"
                        y3="2.458000"
                        z3="6.005354"/>
                  <atom elementType="W"
                        id="a46"
                        x3="-5.521515"
                        y3="8.858036"
                        z3="7.953846"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.354884"
                        y3="-0.293307"
                        z3="3.465044"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.715860"
                        y3="1.704846"
                        z3="4.567703"/>
                  <atom elementType="W"
                        id="a49"
                        x3="-11.521462"
                        y3="7.176610"
                        z3="6.902649"/>
                  <atom elementType="W"
                        id="a50"
                        x3="-8.709469"
                        y3="6.147735"
                        z3="5.020465"/>
                  <atom elementType="Cs"
                        id="a51"
                        x3="-5.811189"
                        y3="6.017139"
                        z3="2.297010"/>
                  <atom elementType="W"
                        id="a52"
                        x3="-8.543432"
                        y3="9.932346"
                        z3="9.995222"/>
                  <atom elementType="O"
                        id="a53"
                        x3="-3.489767"
                        y3="0.011672"
                        z3="3.876610"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.453577"
                        y3="10.212157"
                        z3="7.701304"/>
                  <atom elementType="W"
                        id="a55"
                        x3="-11.348624"
                        y3="7.776205"
                        z3="10.689329"/>
                  <atom elementType="O"
                        id="a56"
                        x3="2.454543"
                        y3="4.215162"
                        z3="5.372965"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-4.425175"
                        y3="5.398964"
                        z3="8.464598"/>
                  <atom elementType="P"
                        id="a58"
                        x3="-8.301158"
                        y3="6.607185"
                        z3="8.559112"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-6.785452"
                        y3="9.610339"
                        z3="9.325546"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-8.061029"
                        y3="9.136193"
                        z3="11.712415"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-10.701883"
                        y3="6.405937"
                        z3="5.369404"/>
                  <atom elementType="O"
                        id="a62"
                        x3="-4.669906"
                        y3="7.935780"
                        z3="9.458607"/>
                  <atom elementType="O"
                        id="a63"
                        x3="-10.795626"
                        y3="8.898019"
                        z3="6.397093"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-11.495799"
                        y3="5.470286"
                        z3="7.809806"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-6.495965"
                        y3="3.946670"
                        z3="7.022343"/>
                  <atom elementType="O"
                        id="a66"
                        x3="-13.180665"
                        y3="7.326648"
                        z3="6.399206"/>
                  <atom elementType="O"
                        id="a67"
                        x3="-8.094233"
                        y3="1.716436"
                        z3="6.486716"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-8.691452"
                        y3="8.107036"
                        z3="4.877412"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-9.130770"
                        y3="9.995279"
                        z3="8.153211"/>
                  <atom elementType="O"
                        id="a70"
                        x3="-11.695450"
                        y3="7.890807"
                        z3="8.837751"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-4.799225"
                        y3="7.578052"
                        z3="6.753758"/>
                  <atom elementType="W"
                        id="a72"
                        x3="1.049693"
                        y3="0.830676"
                        z3="5.059590"/>
                  <atom elementType="W"
                        id="a73"
                        x3="3.667319"
                        y3="3.343862"
                        z3="4.184331"/>
                  <atom elementType="W"
                        id="a74"
                        x3="-2.109423"
                        y3="1.041666"
                        z3="3.548772"/>
                  <atom elementType="W"
                        id="a75"
                        x3="0.712118"
                        y3="0.033957"
                        z3="1.669448"/>
                  <atom elementType="W"
                        id="a76"
                        x3="0.646683"
                        y3="4.406206"
                        z3="6.232778"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-8.921885"
                        y3="4.456621"
                        z3="5.953146"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-8.723507"
                        y3="7.488170"
                        z3="9.765907"/>
                  <atom elementType="O"
                        id="a79"
                        x3="-12.962446"
                        y3="8.224392"
                        z3="11.667391"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-6.743608"
                        y3="6.679507"
                        z3="8.306894"/>
                  <atom elementType="O"
                        id="a81"
                        x3="-10.437020"
                        y3="9.451399"
                        z3="10.505163"/>
                  <atom elementType="O"
                        id="a82"
                        x3="-1.071642"
                        y3="-0.184655"
                        z3="2.296047"/>
                  <atom elementType="Cs"
                        id="a83"
                        x3="-4.922985"
                        y3="1.329146"
                        z3="6.343434"/>
                  <atom elementType="O"
                        id="a84"
                        x3="-9.031665"
                        y3="7.109485"
                        z3="7.277766"/>
                  <atom elementType="O"
                        id="a85"
                        x3="-7.529772"
                        y3="2.574007"
                        z3="11.996857"/>
                  <atom elementType="Tc"
                        id="a86"
                        x3="-5.415647"
                        y3="5.664640"
                        z3="6.732707"/>
                  <atom elementType="O"
                        id="a87"
                        x3="-8.520570"
                        y3="11.623496"
                        z3="10.417419"/>
                  <atom elementType="O"
                        id="a88"
                        x3="1.020239"
                        y3="-1.493489"
                        z3="0.894411"/>
                  <atom elementType="O"
                        id="a89"
                        x3="-8.688463"
                        y3="5.126946"
                        z3="8.847108"/>
                  <atom elementType="O"
                        id="a90"
                        x3="-11.357542"
                        y3="5.876401"
                        z3="10.410820"/>
                  <atom elementType="O"
                        id="a91"
                        x3="-10.105179"
                        y3="7.432772"
                        z3="12.083585"/>
                  <atom elementType="O"
                        id="a92"
                        x3="2.503847"
                        y3="0.980277"
                        z3="1.266754"/>
                  <atom elementType="O"
                        id="a93"
                        x3="5.111437"
                        y3="3.147836"
                        z3="5.140407"/>
                  <atom elementType="O"
                        id="a94"
                        x3="1.545862"
                        y3="-0.241659"
                        z3="6.339344"/>
                  <atom elementType="O"
                        id="a95"
                        x3="-8.771993"
                        y3="5.699581"
                        z3="3.326563"/>
                  <atom elementType="O"
                        id="a96"
                        x3="-7.790943"
                        y3="7.274766"
                        z3="13.836677"/>
                  <atom elementType="O"
                        id="a97"
                        x3="-8.965860"
                        y3="10.899103"
                        z3="5.422572"/>
                  <atom elementType="O"
                        id="a98"
                        x3="-6.333719"
                        y3="7.019765"
                        z3="11.377343"/>
                  <atom elementType="O"
                        id="a99"
                        x3="-10.133650"
                        y3="3.128548"
                        z3="7.979350"/>
                  <atom elementType="O"
                        id="a100"
                        x3="-7.009479"
                        y3="9.247977"
                        z3="6.735725"/>
                  <atom elementType="O"
                        id="a101"
                        x3="-9.872968"
                        y3="3.524104"
                        z3="10.624078"/>
                  <atom elementType="O"
                        id="a102"
                        x3="-12.508710"
                        y3="3.379490"
                        z3="9.520589"/>
                  <atom elementType="O"
                        id="a103"
                        x3="-2.559679"
                        y3="2.550535"
                        z3="4.584164"/>
                  <atom elementType="O"
                        id="a104"
                        x3="4.261785"
                        y3="2.506250"
                        z3="2.446051"/>
                  <atom elementType="O"
                        id="a105"
                        x3="-6.209210"
                        y3="4.583700"
                        z3="10.422895"/>
                  <atom elementType="O"
                        id="a106"
                        x3="-7.754511"
                        y3="2.694924"
                        z3="9.148289"/>
                  <atom elementType="O"
                        id="a107"
                        x3="4.960016"
                        y3="1.868996"
                        z3="-0.431961"/>
                  <atom elementType="O"
                        id="a108"
                        x3="-8.344278"
                        y3="5.339812"
                        z3="11.817241"/>
                  <atom elementType="H"
                        id="a109"
                        x3="4.878637"
                        y3="0.951938"
                        z3="-0.776474"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a17 a1" order="S"/>
                  <bond atomRefs2="a20 a1" order="S"/>
                  <bond atomRefs2="a21 a1" order="S"/>
                  <bond atomRefs2="a22 a1" order="S"/>
                  <bond atomRefs2="a35 a1" order="S"/>
                  <bond atomRefs2="a13 a2" order="S"/>
                  <bond atomRefs2="a16 a2" order="S"/>
                  <bond atomRefs2="a20 a2" order="S"/>
                  <bond atomRefs2="a24 a2" order="S"/>
                  <bond atomRefs2="a32 a2" order="S"/>
                  <bond atomRefs2="a15 a3" order="S"/>
                  <bond atomRefs2="a17 a3" order="S"/>
                  <bond atomRefs2="a18 a3" order="S"/>
                  <bond atomRefs2="a19 a3" order="S"/>
                  <bond atomRefs2="a23 a3" order="S"/>
                  <bond atomRefs2="a15 a4" order="S"/>
                  <bond atomRefs2="a21 a4" order="S"/>
                  <bond atomRefs2="a25 a4" order="S"/>
                  <bond atomRefs2="a30 a4" order="S"/>
                  <bond atomRefs2="a31 a4" order="S"/>
                  <bond atomRefs2="a13 a5" order="S"/>
                  <bond atomRefs2="a14 a5" order="S"/>
                  <bond atomRefs2="a22 a5" order="S"/>
                  <bond atomRefs2="a29 a5" order="S"/>
                  <bond atomRefs2="a37 a5" order="S"/>
                  <bond atomRefs2="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="a26 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="a83 a27" order="S"/>
                  <bond atomRefs2="a86 a27" order="S"/>
                  <bond atomRefs2="a76 a33" order="S"/>
                  <bond atomRefs2="a85 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="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="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="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="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="a86 a80" 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*-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;;;;;;;;;;;;;;;;;;;;;2*+1/p-2/rCs2H2O79P2Tc2W22/c3-82(4,5)31-84-33-86(9)37-88(11,35-84)41-92(15)47-90(13,39-86)49-94(17,51-92)57-100(23)61-96(19,43-86,53-90)67-104(69-100)27-1(77(84)104)28-105-68-97(20)44-87(10)34-85(78(1)105,32-83(6,7)8)36-89(12,38-87)42-93(16)48-91(14,40-87,54-97)50-95(18,52-93)58-101(24,62-97,70-105)66-103(26,60-95)64-99(22,46-89,56-93)72-107(74-103,76-105)30-2(79(84)85,81(85)107)29-106(75-104,80(2)84)71-98(21,45-88,55-92)63-102(25,59-94,65-100)73-106/h17-18H">
                  <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;1;2;3;4;5;36;38;39;41;42;44;46;49;50;52;72;73;74;75;76;8;55/E:;;2*(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;1-1,2.1,3.1,4.1,5.4;1.1,2-1,3.1,4.1,5.4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:109nWWWWWO1OWHTcO1P4OOOOOOOOOOO3OOOO3O1OO1OO1OO1O1WO1WWO1WWO3WOWOOWWCs4WOO1WOOP4OOOOOOO3O1OOOOOWWWWWOO1OOOOCs5O1O1TcO1O1O1OOOO1O1OO1O1OOOOO1O3OOOOOH/rB:;;;;;;;;;;;s2s5;s5;s3s4;s2;s1s3;s3;s3;s1s2;s1s4;s1s5;s3s10;s2s8;s4;s10s12;s10;s12;s5s10;s4;s4s8;s2;s10;s12;s1;;s5;s11;;s12;;;;;;;;;;s43;s19s23s43;;;s46;;;s38;;s46s52;s42s52;s49s50;s38s46;s44s49;s39s49;s41;s49;s41;s44s50;s44s52;s49s55;s46;s7s45s47s48;s16s48s56;s7s18s53;s25s47;s6s14s33s45s56;s41s50;s58;s9s55;s58;s52s55;s74s75;s27s53s65s67;s58;s36;s27s43s57s65s71s80;s52;s75;s58;s39s55;s42s55;s8s75;s73;s72;s50s51;s42;s44;s38s42;s39s41;s44s46;s36s39;s39;s10s74s83;s8s73;s36s38;s36s41;s8;s36s42;s107;/rC:-.3472,6.0756,.2329;2.9918,5.8532,1.8853;-2.8133,3.728,1.0589;.0159,2.7689,-.8478;-.0348,6.9411,3.9082;1.0876,4.59,7.9088;-.8418,.3952,4.9026;3.4991,2.4783,.6886;-13.7638,8.3756,11.1186;-2.3982,4.596,4.6854;-3.6929,5.8186,11.1542;.3481,3.5261,2.725;1.8155,6.6306,3.1586;.6954,6.2555,5.5868;-1.8708,2.8746,-.5106;4.0587,5.0419,3.3019;-2.1778,5.4216,.2822;-2.6278,1.9994,1.9384;-4.4636,3.7202,.4684;1.5678,6.0126,.5883;.0235,4.6847,-1.1185;-.5364,6.7934,2.0174;-3.0688,4.5361,2.7497;3.7607,4.3612,.7211;.0921,1.1419,.2118;-.2596,4.421,3.8755;-4.0361,4.9956,5.5889;1.8713,3.7743,2.5573;-1.7891,6.5036,4.4714;.052,2.1723,-2.4823;2.0001,2.8347,-.4501;4.0378,7.1694,1.4247;-1.2466,4.4862,6.3295;-.3766,3.874,1.3916;-.5085,7.4912,-.7694;-7.9188,3.7506,10.7724;-.0053,8.6642,4.1664;-5.0455,6.1278,10.0997;-11.0285,4.2551,9.2534;.1098,2.029,3.0858;-8.2307,3.2523,7.3207;-8.0704,7.2287,12.1167;-6.8508,6.0766,5.3193;-8.8892,9.4053,6.3155;.6109,2.458,6.0054;-5.5215,8.858,7.9538;1.3549,-.2933,3.465;2.7159,1.7048,4.5677;-11.5215,7.1766,6.9026;-8.7095,6.1477,5.0205;-5.8112,6.0171,2.297;-8.5434,9.9323,9.9952;-3.4898,.0117,3.8766;-4.4536,10.2122,7.7013;-11.3486,7.7762,10.6893;2.4545,4.2152,5.373;-4.4252,5.399,8.4646;-8.3012,6.6072,8.5591;-6.7855,9.6103,9.3255;-8.061,9.1362,11.7124;-10.7019,6.4059,5.3694;-4.6699,7.9358,9.4586;-10.7956,8.898,6.3971;-11.4958,5.4703,7.8098;-6.496,3.9467,7.0223;-13.1807,7.3266,6.3992;-8.0942,1.7164,6.4867;-8.6915,8.107,4.8774;-9.1308,9.9953,8.1532;-11.6954,7.8908,8.8378;-4.7992,7.5781,6.7538;1.0497,.8307,5.0596;3.6673,3.3439,4.1843;-2.1094,1.0417,3.5488;.7121,.034,1.6694;.6467,4.4062,6.2328;-8.9219,4.4566,5.9531;-8.7235,7.4882,9.7659;-12.9624,8.2244,11.6674;-6.7436,6.6795,8.3069;-10.437,9.4514,10.5052;-1.0716,-.1847,2.296;-4.923,1.3291,6.3434;-9.0317,7.1095,7.2778;-7.5298,2.574,11.9969;-5.4156,5.6646,6.7327;-8.5206,11.6235,10.4174;1.0202,-1.4935,.8944;-8.6885,5.1269,8.8471;-11.3575,5.8764,10.4108;-10.1052,7.4328,12.0836;2.5038,.9803,1.2668;5.1114,3.1478,5.1404;1.5459,-.2417,6.3393;-8.772,5.6996,3.3266;-7.7909,7.2748,13.8367;-8.9659,10.8991,5.4226;-6.3337,7.0198,11.3773;-10.1336,3.1285,7.9794;-7.0095,9.248,6.7357;-9.873,3.5241,10.6241;-12.5087,3.3795,9.5206;-2.5597,2.5505,4.5842;4.2618,2.5063,2.4461;-6.2092,4.5837,10.4229;-7.7545,2.6949,9.1483;4.96,1.869,-.432;-8.3443,5.3398,11.8172;4.8786,.9519,-.7765;/R:/0/N:51,83,28,34,40,78,84,89,37,54,6,11,32,87,93,96,107,79,35,97,94,85,30,66,88,102,19,95,53,67,26,80,29,71,33,57,14,62,13,59,56,98,22,100,45,105,16,60,24,81,104,91,20,69,48,108,31,70,92,90,21,63,47,101,25,64,17,68,15,61,7,106,82,99,18,77,23,43,27,103,65,12,58,10,86,5,46,76,38,2,52,73,42,8,55,1,44,72,36,4,49,75,39,3,50,74,41/E:(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)(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)/CRV:1.4,2.5,3.1,4.1,5.1,6.1,7.1,8.1,9.1,10.1,11.1,12.1,13.1,14.1,15.1,16.1,19.1,20.1,21.1,22.1,23.1,24.1,25.1,26.1,77.3,78.3,79.3,80.3,81.3,82.4,83.4,84.6,85.6</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>8142.20485600</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>197.14832100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>8517.46041012</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">2.486127 2.489699 2.465035 2.484194 2.470692 -0.744499 -0.905024 2.508602 0.147372 2.351033 -0.743602 1.984174 -0.922089 -0.910069 -0.901492 -0.901801 -0.906951 -0.935731 -0.795761 -0.925601 -0.902551 -0.927704 -1.025813 -0.881893 -0.926751 -1.054296 -1.035454 -1.017214 -0.937797 -0.734960 -0.914483 -0.741333 -0.938509 -1.030041 -0.743164 2.486141 -0.743942 2.470531 2.484156 -1.030549 2.465139 2.489749 -1.017614 2.486400 -0.927214 2.471140 -0.903271 -0.924924 2.482060 2.464250 1.045520 2.490545 -0.802859 -0.744425 2.509150 -0.924909 -0.938478 1.984337 -0.924828 -0.901856 -0.896838 -0.909915 -0.903366 -0.926817 -1.027256 -0.733017 -0.797945 -0.905536 -0.924907 -0.898899 -0.938377 2.486422 2.490659 2.464473 2.482362 2.471160 -0.935634 -1.017295 -0.499966 -1.054309 -0.893289 -0.897293 1.047566 -1.030424 -0.743351 2.350433 -0.742778 -0.732973 -1.029952 -0.915537 -0.880707 -0.900364 -0.742629 -0.742380 -0.802358 -0.741274 -0.742588 -0.921700 -0.901916 -0.927143 -0.902570 -0.735281 -1.018244 -0.892467 -0.927803 -0.906273 -0.500086 -0.925479 0.147267</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">1.922003 1.925256 1.914805 1.925453 1.914313 -0.628638 -0.712993 1.798837 0.433602 1.663231 -0.626980 1.550393 -0.702103 -0.731696 -0.725000 -0.723687 -0.713450 -0.684261 -0.646652 -0.690608 -0.727486 -0.693163 -0.777630 -0.684376 -0.684122 -0.788254 -0.742484 -0.755306 -0.730429 -0.621889 -0.676608 -0.629960 -0.730230 -0.765614 -0.628579 1.921683 -0.627250 1.914110 1.925256 -0.766970 1.914733 1.925308 -0.773635 1.921335 -0.694543 1.913323 -0.727716 -0.690431 1.925024 1.916214 0.807833 1.923408 -0.645746 -0.628492 1.801308 -0.702186 -0.731450 1.550328 -0.701945 -0.723944 -0.722235 -0.731690 -0.727595 -0.684445 -0.778313 -0.618476 -0.647539 -0.712683 -0.690606 -0.667258 -0.729720 1.921312 1.923926 1.916229 1.925109 1.913411 -0.684132 -0.755407 -0.639751 -0.788325 -0.695556 -0.722327 0.807838 -0.766863 -0.628962 1.662911 -0.632453 -0.618518 -0.765302 -0.676423 -0.683176 -0.668099 -0.632262 -0.628765 -0.645475 -0.629868 -0.628795 -0.702146 -0.724598 -0.694328 -0.727416 -0.622434 -0.773688 -0.694001 -0.693021 -0.713558 -0.638041 -0.690266 0.432529</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">2.019853 2.018964 1.994341 2.023044 2.001905 -0.599672 -0.766422 2.060950 0.431154 1.768085 -0.598613 1.534633 -0.773968 -0.776052 -0.755528 -0.761124 -0.766638 -0.776162 -0.627054 -0.763785 -0.762420 -0.783320 -0.812461 -0.734719 -0.767684 -0.824947 -0.769335 -0.828773 -0.742336 -0.591491 -0.791288 -0.596076 -0.746016 -0.819830 -0.595582 2.019281 -0.598417 2.001209 2.017444 -0.832396 1.995954 2.021835 -0.808997 2.020150 -0.782106 1.998350 -0.765332 -0.761579 2.017804 1.998996 0.883136 2.023926 -0.624126 -0.599651 2.121613 -0.773808 -0.743072 1.534654 -0.774989 -0.763381 -0.751425 -0.772201 -0.764932 -0.766539 -0.810309 -0.587692 -0.625010 -0.766555 -0.765954 -0.785727 -0.738357 2.019453 2.018498 1.994193 2.018055 2.004959 -0.773790 -0.803334 -0.651572 -0.848357 -0.785766 -0.747905 0.880611 -0.815458 -0.597307 1.765871 -0.597519 -0.589037 -0.830040 -0.801411 -0.747441 -0.757470 -0.599083 -0.595880 -0.623334 -0.597216 -0.595477 -0.773862 -0.755889 -0.781836 -0.761756 -0.589397 -0.805040 -0.760538 -0.778499 -0.764567 -0.652113 -0.767420 0.433242</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">-0.009841 0.000005 -0.020677 -0.000008 -0.019828 -0.008398 -0.001360 -0.001712 0.000001 -1.544793 0.008011 -0.000641 -0.002075 -0.043226 -0.003757 0.000080 -0.001524 -0.031848 -0.013896 -0.002606 -0.002826 -0.001193 -0.090681 0.000101 -0.000100 -0.012893 0.000229 0.000730 -0.102699 -0.000397 0.000125 -0.000106 -0.106467 -0.000598 0.000397 0.009814 -0.007999 0.019945 -0.000013 -0.000575 0.020794 -0.000002 0.085030 0.009829 -0.001345 0.021216 -0.002626 -0.002879 0.000129 0.020660 -0.000022 -0.000102 -0.013684 0.008449 0.001699 -0.002267 0.103235 0.000615 0.002255 -0.000082 0.003306 0.043318 0.002580 0.000102 0.090636 0.000369 0.013790 0.001316 0.002878 -0.000102 0.106618 -0.009881 0.000095 -0.020843 -0.000114 -0.021199 0.031683 -0.000742 -0.000036 0.012685 -0.000108 -0.003338 0.000048 0.000564 -0.000397 1.545082 0.000111 -0.000372 0.000590 -0.000130 -0.000102 0.000101 -0.000111 0.000413 0.013652 0.000105 -0.000412 0.002050 0.003807 0.001344 0.002888 0.000394 -0.085778 0.000109 0.001252 0.001534 0.000036 0.002607 -0.000002</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="109">-0.008704 0.000010 -0.021939 -0.000152 -0.022516 -0.010580 -0.003451 -0.001310 0.000034 -1.226198 0.010053 -0.002042 -0.001932 -0.043336 -0.003909 0.000045 -0.003592 -0.032537 -0.016118 -0.002399 -0.002761 -0.004978 -0.131218 0.000023 -0.000385 -0.040691 0.000192 0.001477 -0.140584 -0.000476 0.000045 -0.000143 -0.144566 -0.002572 -0.000152 0.008685 -0.010023 0.022640 0.000136 -0.002588 0.022018 -0.000009 0.126445 0.008702 -0.005267 0.023858 -0.002583 -0.002639 0.000246 0.021736 -0.000319 -0.000076 -0.015770 0.010635 0.001301 -0.002105 0.141272 0.002022 0.002095 -0.000047 0.003524 0.043437 0.002539 0.000386 0.131104 0.000443 0.016005 0.003381 0.002638 -0.000018 0.144708 -0.008750 0.000070 -0.021926 -0.000234 -0.023835 0.032383 -0.001482 0.000021 0.040433 -0.000030 -0.003556 0.000347 0.002570 0.000152 1.226584 0.000150 -0.000446 0.002567 -0.000050 -0.000024 0.000018 -0.000151 -0.000139 0.015712 0.000142 0.000136 0.001914 0.003952 0.005252 0.002816 0.000474 -0.127248 0.000029 0.005040 0.003614 -0.000021 0.002400 -0.000035</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="109">-0.008875 0.000202 -0.019803 0.000102 -0.019866 -0.008683 -0.004664 -0.001276 0.000013 -1.237643 0.008638 -0.000141 -0.001773 -0.043578 -0.004047 -0.000102 -0.004656 -0.033762 -0.014860 -0.002534 -0.002914 -0.006528 -0.134767 0.000022 -0.000486 -0.035137 0.000848 0.001784 -0.149590 -0.000355 0.000070 -0.000024 -0.153654 -0.001564 -0.000032 0.008840 -0.008388 0.020441 -0.000059 -0.001351 0.019507 -0.000232 0.131611 0.008844 -0.006670 0.021664 -0.002649 -0.002838 0.000079 0.019283 -0.000255 -0.000350 -0.014749 0.009265 0.001284 -0.002371 0.148001 0.000263 0.001747 0.000065 0.003738 0.043673 0.002649 0.000559 0.135959 0.000348 0.014475 0.003870 0.002742 -0.000036 0.152574 -0.008830 0.000247 -0.020108 0.000035 -0.020800 0.034125 -0.001944 0.000000 0.034746 -0.000024 -0.003490 0.001072 0.001561 0.000078 1.237465 0.000000 -0.000323 0.001556 -0.000059 -0.000029 0.000030 -0.000047 -0.000034 0.014112 0.000022 0.000012 0.001937 0.004002 0.007464 0.002867 0.000367 -0.131716 0.000050 0.007072 0.004145 0.000000 0.002565 -0.000023</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-800.765410</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">569.267072</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">97.084422</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-753.725906</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:solvener"
                             units="nonsi:electronvolt">-15.927675</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-904.067506</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">2.48058188 2.48770475 2.50020328 2.47652744 2.44522029 -0.72985838 -0.94185898 2.55206152 0.32076211 2.15987255 -0.72910884 2.44444643 -0.93585980 -0.93917405 -0.93977344 -0.94080881 -0.94083187 -0.97056124 -0.76611202 -0.94177109 -0.93630715 -0.94538318 -1.00022345 -0.91053434 -0.94489720 -1.02345028 -0.95138203 -0.99632551 -0.92202290 -0.72071086 -0.92165429 -0.72599808 -0.92528855 -1.02598208 -0.72770242 2.48002419 -0.72944706 2.44504996 2.47552162 -1.02631338 2.50287166 2.48744065 -0.99449339 2.47979660 -0.94463289 2.44399115 -0.93613259 -0.94093998 2.47486125 2.50485887 0.91602565 2.49025736 -0.77241311 -0.72968756 2.55582432 -0.93782496 -0.92295352 2.44414029 -0.93758066 -0.94098713 -0.93468837 -0.93892706 -0.93634464 -0.94476121 -1.00102824 -0.71945024 -0.76781046 -0.94195173 -0.94098576 -0.91273293 -0.92448509 2.47980428 2.49068719 2.50630125 2.47525116 2.44459311 -0.97080456 -0.99643735 -0.70798481 -1.02304922 -0.91874158 -0.93506946 0.91323468 -1.02619772 -0.72768606 2.15899282 -0.72715255 -0.71936285 -1.02577807 -0.92236844 -0.90970603 -0.91331161 -0.72710208 -0.72683214 -0.77200945 -0.72593644 -0.72701398 -0.93545794 -0.94019565 -0.94470612 -0.93630898 -0.72096095 -0.99499886 -0.91803829 -0.94539043 -0.94026377 -0.70729013 -0.94158402 0.32098399</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">-0.01248644 0.00014129 -0.02541046 0.00029078 -0.02283697 -0.00773635 0.00136956 -0.00209344 0.00001132 -1.78152199 0.00739832 -0.00140903 -0.00212017 -0.04434220 -0.00394365 0.00022216 0.00120671 -0.03191429 -0.01310771 -0.00216167 -0.00240721 0.00178290 -0.04814395 0.00026663 0.00019172 0.00686630 0.00017556 0.00081882 -0.05992023 -0.00039187 0.00030680 -0.00008568 -0.06323214 -0.00029828 0.00086835 0.01244700 -0.00738879 0.02298005 -0.00031758 -0.00031991 0.02566059 -0.00013797 0.04234165 0.01252039 0.00172497 0.02452238 -0.00217857 -0.00245699 -0.00010113 0.02521395 0.00000539 -0.00026828 -0.01291975 0.00778920 0.00207925 -0.00232200 0.06030887 0.00139452 0.00230639 -0.00022218 0.00343613 0.04442472 0.00213320 -0.00018847 0.04804441 0.00035823 0.01298348 -0.00139129 0.00246087 -0.00028970 0.06332618 -0.01258495 0.00026020 -0.02545339 0.00012408 -0.02453981 0.03172970 -0.00082500 -0.00009309 -0.00692685 -0.00027260 -0.00346705 -0.00001564 0.00031843 -0.00086667 1.78184827 0.00009540 -0.00036100 0.00029034 -0.00030983 -0.00026566 0.00028973 -0.00009465 0.00088506 0.01289185 0.00008529 -0.00088104 0.00209460 0.00399916 -0.00170777 0.00247566 0.00038994 -0.04300047 0.00027560 -0.00173495 -0.00121048 0.00009492 0.00216219 -0.00001220</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">25.30387035 -42.91674289 -47.20196335</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">63.795550</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">175.39567176 514.53562838 706.43208411 60.22224440 -850.29734085 -235.61791615</array>
               </module>
               <module cmlx:templateRef="s2" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double" dictRef="cc:s2">0.00000000</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:s2expected">1.96374732</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 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 1.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 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">-81.302649 -81.301788 -80.741714 -80.740433 -80.726868 -80.725138 -80.708403 -80.704123 -80.703787 -80.699559 -80.699076 -80.698517 -80.694987 -80.687121 -80.686747 -80.683537 -80.679751 -80.668359 -80.635326 -80.628878 -80.622059 -80.616962 -46.001364 -45.998450 -45.957446 -45.953281 -45.908383 -45.903516 -45.576169 -45.575615 -45.559832 -45.558920 -45.525917 -45.523362 -45.520628 -45.518077 -45.511792 -45.510916 -45.500309 -45.491289 -45.489482 -45.489235 -45.482806 -45.472814 -45.468105 -45.458690 -45.448882 -45.440330 -45.440091 -45.438358 -45.420727 -45.417636 -45.416024 -45.413515 -45.410881 -45.405240 -45.398349 -45.394548 -45.392946 -45.389386 -45.384140 -45.380303 -45.378853 -45.375821 -45.375725 -45.368665 -45.363638 -45.362248 -45.361179 -45.353686 -45.352639 -45.344632 -45.342417 -45.333823 -45.332872 -45.328264 -45.321871 -45.320476 -45.315014 -45.313206 -45.308646 -45.298172 -45.294765 -45.289683 -45.280033 -45.269710 -45.269157 -45.251700 -27.609592 -27.608241 -26.055429 -26.031390 -25.485268 -25.482282 -25.292341 -25.285237 -25.269582 -25.268360 -25.160882 -25.160424 -24.568627 -24.562719 -24.256556 -24.251090 -24.219166 -24.215386 -24.178033 -24.172975 -24.153741 -24.131585 -24.061078 -24.053065 -24.033567 -24.003060 -23.935969 -23.850517 -23.842805 -23.802081 -23.794716 -23.786943 -23.752765 -23.684163 -23.678797 -23.664500 -23.653716 -23.527836 -23.513976 -23.498776 -23.475019 -23.470506 -23.449511 -23.446616 -23.424707 -23.345439 -23.317849 -23.315686 -23.295964 -23.295614 -23.268690 -23.230958 -23.224814 -23.213162 -23.210231 -23.207391 -23.192251 -23.185123 -23.180419 -23.174369 -23.165341 -23.159642 -23.155076 -23.150450 -23.149893 -23.146924 -23.146646 -23.134523 -23.127910 -23.120010 -23.117392 -23.116830 -23.103112 -23.101657 -23.100880 -23.090321 -23.087362 -23.066101 -23.033794 -23.024297 -22.983907 -15.366190 -15.349442 -13.336925 -13.330612 -13.236626 -13.147851 -13.125708 -13.119482 -13.113628 -13.099403 -13.062780 -13.030861 -13.016648 -13.014696 -13.003126 -12.994065 -12.867106 -12.862550 -12.825818 -12.818760 -12.770806 -12.755188 -12.666755 -12.645687 -12.168869 -12.165186 -12.139522 -12.131660 -12.109394 -12.069074 -12.066873 -12.054886 -11.999168 -11.991151 -11.985916 -11.955079 -11.942822 -11.938354 -11.828977 -11.792939 -11.725984 -11.679436 -11.650985 -11.448609 -11.429264 -11.424203 -11.417909 -11.352903 -11.339648 -11.305359 -11.253337 -11.233219 -11.169811 -11.137873 -11.136075 -11.128722 -11.128346 -11.079559 -11.043600 -10.924859 -10.886054 -10.722592 -10.707386 -10.698109 -10.687240 -10.664156 -10.652862 -10.642486 -10.631771 -10.628192 -10.620218 -10.564926 -10.550558 -10.542971 -10.531579 -10.511405 -10.493768 -10.474872 -10.444136 -10.437581 -10.429903 -10.398417 -10.347846 -10.318280 -10.290903 -10.280527 -10.265516 -10.256276 -10.237556 -10.210424 -10.173523 -10.146650 -10.135874 -10.119044 -10.103204 -10.085565 -10.067054 -10.055816 -10.046160 -10.034724 -10.027779 -10.016624 -9.981960 -9.957458 -9.936485 -9.923830 -9.912895 -9.888739 -9.858106 -9.844617 -9.840780 -9.834673 -9.804001 -9.754800 -9.720934 -9.719386 -9.712580 -9.704070 -9.675330 -9.671146 -9.669514 -9.662727 -9.660909 -9.651858 -9.650070 -9.638943 -9.632156 -9.525283 -9.512339 -9.510608 -9.501634 -9.481140 -9.450038 -9.425368 -9.418524 -9.347772 -9.341333 -9.336271 -9.332803 -9.299914 -9.286504 -9.258923 -9.254328 -9.225126 -9.195890 -9.173727 -9.166447 -9.136069 -9.129797 -9.124235 -9.116745 -9.082377 -9.061202 -9.057065 -9.054162 -9.043687 -9.020318 -9.011999 -8.989296 -8.896591 -8.884258 -8.783440 -8.761116 -8.718598 -8.693608 -8.680478 -8.583972 -8.554108 -8.528214 -8.510067 -8.466546 -8.459275 -8.443642 -8.415926 -8.370928 -8.350801 -8.326340 -8.315299 -8.269298 -8.231888 -8.187469 -8.173333 -8.163100 -8.145136 -8.126222 -8.116505 -8.092867 -8.052072 -8.003745 -7.981981 -7.944460 -7.906712 -7.872279 -7.837957 -7.813141 -7.801814 -7.800234 -7.775353 -7.759887 -7.753808 -7.716140 -7.703488 -7.688224 -7.676335 -7.663373 -7.652819 -7.645727 -7.629153 -7.620709 -7.608727 -7.603727 -7.587805 -7.586024 -7.577633 -7.572827 -7.547581 -7.542239 -7.538202 -7.530154 -7.528925 -7.521085 -7.504969 -7.499306 -7.473611 -7.467749 -7.456229 -7.451345 -7.324050 -7.288077 -7.280536 -7.262165 -7.258827 -7.234829 -7.221933 -7.198859 -7.193779 -7.162009 -7.148312 -7.134347 -6.936919 -6.923012 -6.914266 -6.888969 -5.671577 -5.644608 -5.589835 -4.618651 -4.213097 -4.190482 -4.176914 -4.126259 -4.033432 -3.962969 -3.944494 -3.916801 -3.870202 -3.847191 -3.753483 -3.741135 -3.721550 -3.584368 -3.562227 -3.507378 -3.438701 -3.410243 -3.336721 -3.284213 -3.254375 -3.221521 -3.213200 -3.175374 -3.156018 -3.151201 -3.122632 -2.946689 -2.934857 -2.907752 -2.880790 -2.870441 -2.858244 -2.840537 -2.833026 -2.789942 -2.733120 -2.726194 -2.715332 -2.705161 -2.638638 -2.635220 -2.608162 -2.584132 -2.564911 -2.545403 -2.511837 -2.466893 -2.424314 -2.392591 -2.291472 -2.260713 -2.231996 -2.143736 -2.132479 -2.111836 -2.094018 -1.989660 -1.984607 -1.981574 -1.953011 -1.947425 -1.944236 -1.929577 -1.906487 -1.828992 -1.819362 -1.812213 -1.795709 -1.693326 -1.649737 -1.627986 -1.524927 -1.501744 -0.960807 -0.856512 -0.796489 -0.773489 -0.761743 -0.701798 -0.656602 -0.544740 -0.528105 -0.504158 -0.293354 -0.271108 -0.167680 -0.157896 -0.137976 -0.110149 -0.100441 -0.093573 -0.059515 -0.029405 -0.008412 0.004728 0.010637 0.150110 0.170667 0.196466 0.240228 0.265652 0.330000 0.339635 0.348474 0.392155 0.432090 0.478046 0.507689 0.568357 0.599904 0.609824 0.625800 0.660467 0.749108 0.794929 0.903007 0.906831 0.922734 1.001708 1.013021 1.043132 1.057668 1.089779 1.143487 1.179050 1.221495 1.290288 1.324536 1.330609 1.359003 1.401021 1.488810 1.507903 1.532661 1.578802 1.623740 1.641315 1.685032 1.751012 1.770114 1.912242 1.972854 1.985460 2.021210 2.038442 2.120911 2.135311 2.177746 2.280952 2.328556 2.360616 2.437141 2.452518 2.476848 2.512266 2.587468 2.654563 2.673601 2.721612 2.774400 2.783153 2.807868 2.874660 2.897163 3.034501 3.060157 3.105378 3.135554 3.295841 3.377371 3.431423 3.507158 3.515593 3.634353 3.645716 3.694328 3.734490 3.745263 3.806376 3.858906 3.890867 3.897932 3.950291 3.967660 3.998891 4.027384 4.080332 4.106428 4.142667 4.199151 4.291170 4.300906 4.315772 4.364463 4.453022 4.521702 4.599792 4.631382 4.655676 4.740732 4.760751 4.791681 4.842252 4.905347 4.912272 4.955584 5.018304 5.074620 5.099684 5.128710 5.158387 5.212111 5.215177 5.217742 5.247009 5.269812 5.326514 5.378664 5.440139 5.525105 5.546987 5.583562 5.635606 5.663042 5.679200 5.784457 5.851325 5.926168 5.934517 5.988703 6.101309 6.127718 6.173529 6.243067 6.258605 6.311574 6.330485 6.353818 6.364628 6.372441 6.430675 6.445925 6.499122 6.517771 6.538672 6.571631 6.588042 6.638465 6.666535 6.694452 6.741290 6.766448 6.798288 6.825670 6.844966 6.893403 6.967754 6.985576 6.999342 7.013150 7.083864 7.127267 7.137826 7.163237 7.221108 7.288830 7.356536 7.384726 7.394549 7.428423 7.452756 7.479221 7.516003 7.651383 7.682747 7.746117 7.756208 7.784423 7.826073 7.879789 7.929154 7.966223 8.037402 8.040819 8.156642 8.224762 8.262868 8.289881 8.303797 8.309044 8.354677 8.391615 8.436549 8.458625 8.473719 8.500630 8.505278 8.535987 8.577092 8.636284 8.642693 8.648091 8.744406 8.766500 8.788726 8.789481 8.831417 8.868907 8.900859 8.960312 8.982177 9.009555 9.075787 9.118850 9.151574 9.164946 9.204760 9.266464 9.319252 9.338526 9.370472 9.403393 9.438810 9.467689 9.549010 9.552882 9.619859 9.633559 9.667005 9.677120 9.743816 9.751926 9.855259 9.866688 9.874317 9.932021 9.964107 9.992246 9.994614 10.100240 10.122172 10.151573 10.204601 10.246157 10.285559 10.326814 10.358760 10.417300 10.483103 10.507016 10.528947 10.567360 10.578843 10.639001 10.652508 10.711455 10.739564 10.767478 10.801174 10.860079 10.876401 10.898324 10.979954 10.996261 11.082528 11.138565 11.167767 11.196677 11.225968 11.235207 11.336951 11.366722 11.422066 11.454616 11.527240 11.636612 11.674194 11.705979 11.761524 11.785513 11.792723 11.874869 11.932271 11.940031 12.073171 12.111505 12.144636 12.195679 12.262521 12.345316 12.371446 12.391528 12.428400 12.462906 12.514638 12.533866 12.672592 12.710515 12.795821 13.110859 13.188849 13.223502 13.232743 13.294848 13.312032 13.342751 13.400703 13.489829 13.796452 13.807725 13.829795 13.894765 14.016944 14.038704 14.189618 14.289868 14.378231 14.395894 14.424009 14.465609 14.553398 14.566667 14.732564 14.764058 14.868574 14.924573 14.952019 15.040041 15.052032 15.198118 15.267888 15.417125 15.506559 15.527368 15.547477 15.648355 15.654957 15.693992 15.718583 15.834266 15.963228 16.029534 16.170022 16.206937 16.253095 16.350736 16.363162 16.460934 16.511643 16.540367 16.673371 16.866365 16.896948 16.976757 16.994388 17.012925 17.021849 17.037242 17.058028 17.115451 17.123638 17.201628 17.229850 17.294834 17.313030 17.400066 17.406805 17.485072 17.495570 17.577521 17.597539 17.602805 17.738169 17.777460 17.800816 17.845026 17.887064 17.949042 18.014422 18.041596 18.093199 18.113187 18.267853 18.324158 18.414583 18.443093 18.512888 18.531915 18.608494 18.627678 18.683949 18.829458 18.867823 18.899497 18.973406 19.045801 19.103795 19.195865 19.217441 19.257243 19.369106 19.408285 19.449995 19.470525 19.567100 19.602280 19.651612 19.675471 19.755845 19.776143 19.820293 19.829864 19.839675 19.902323 19.958257 19.985381 20.019910 20.046369 20.121607 20.141301 20.170247 20.287043 20.326592 20.361827 20.415387 20.423733 20.442035 20.529807 20.554981 20.566886 20.663966 20.683636 20.772853 20.862557 20.910609 20.935555 20.989445 21.024922 21.071339 21.125671 21.165485 21.189900 21.249641 21.326474 21.456758 21.479443 21.613751 21.679767 21.723169 21.796448 21.814027 21.857617 21.910304 21.962695 21.993679 22.081963 22.146636 22.209677 22.236887 22.389984 22.434949 22.512808 22.529665 22.562373 22.585218 22.624708 22.648064 22.695001 22.731532 22.798423 22.838618 22.878954 22.940028 23.065366 23.166307 23.198813 23.218378 23.249353 23.321995 23.390231 23.462306 23.478706 23.661094 23.695899 23.731142 23.752786 23.814754 23.913493 24.018410 24.056589 24.097101 24.115262 24.244214 24.255336 24.289456 24.451039 24.587724 24.675111 24.798388 24.877360 24.899507 24.963445 25.050609 25.092692 25.178998 25.192954 25.211509 25.274993 25.343650 25.375146 25.408038 25.481125 25.482657 25.606698 25.636069 25.714278 25.819964 25.853273 25.907334 25.934816 26.051993 26.069891 26.128129 26.153121 26.184223 26.211325 26.235794 26.338649 26.357325 26.376442 26.444725 26.515347 26.532211 26.540112 26.579458 26.655772 26.689171 26.739618 26.748307 26.799959 26.959801 26.966163 26.990060 27.141319 27.175733 27.210799 27.381872 27.418911 27.421595 27.459006 27.486478 27.559619 27.607075 27.617196 27.642956 27.696177 27.711716 27.723759 27.759113 27.844056 27.849617 27.957501 27.979200 27.993029 28.056062 28.095412 28.133369 28.153359 28.246993 28.285733 28.375654 28.430735 28.461696 28.501776 28.522942 28.611515 28.655957 28.670704 28.697933 28.716679 28.773960 28.850985 28.867490 28.915005 29.017916 29.061141 29.091554 29.118294 29.140555 29.150360 29.179278 29.200275 29.248180 29.275021 29.293916 29.311152 29.474849 29.516495 29.575396 29.596032 29.625137 29.671210 29.692092 29.733670 29.755120 29.783957 29.864704 29.959055 29.986844 30.100207 30.162119 30.202410 30.229206 30.308864 30.312866 30.336581 30.381546 30.400252 30.489948 30.501647 30.568580 30.620114 30.659664 30.733845 30.789632 30.802484 30.820210 30.911638 30.913701 30.939831 30.963106 30.965555 31.038040 31.107616 31.145091 31.152121 31.177358 31.265350 31.278933 31.328204 31.391076 31.521075 31.585730 31.618414 31.634631 31.704974 31.725101 31.741377 31.822042 31.867146 31.884871 31.928712 31.953811 32.023295 32.047650 32.115060 32.122307 32.140393 32.172327 32.213541 32.242675 32.256328 32.285807 32.346440 32.383319 32.408866 32.424768 32.428881 32.510248 32.519035 32.528388 32.537525 32.548246 32.576109 32.637543 32.649820 32.688022 32.700943 32.751646 32.762059 32.792146 32.850313 32.865369 32.976306 32.982679 33.010446 33.024640 33.052951 33.119865 33.138762 33.175506 33.223187 33.230805 33.243635 33.256664 33.341867 33.396008 33.420366 33.438501 33.456139 33.495038 33.547619 33.572790 33.631562 33.643316 33.691767 33.697133 33.750922 33.777562 33.797763 33.819454 33.860853 33.873828 33.904947 33.921034 33.927007 33.966952 34.023325 34.065289 34.090304 34.108507 34.135250 34.191905 34.213764 34.230532 34.281710 34.327166 34.334598 34.359703 34.370172 34.432912 34.440074 34.481414 34.507064 34.532718 34.555832 34.678858 34.681779 34.719938 34.771973 34.774683 34.779106 34.802796 34.883027 34.893549 34.908457 34.939340 34.974154 35.014669 35.060029 35.124023 35.132035 35.178553 35.194735 35.299336 35.344808 35.482794 35.508509 35.515284 35.561204 35.579968 35.664982 35.682710 35.684129 35.713267 35.739303 35.752002 35.811566 35.830931 35.851832 35.913112 35.951086 36.020239 36.037821 36.058704 36.110542 36.141871 36.173374 36.235082 36.282300 36.301169 36.374102 36.459139 36.471623 36.494269 36.511101 36.515038 36.566747 36.573795 36.623501 36.652966 36.662754 36.678026 36.725580 36.775724 36.805734 36.853750 36.865655 36.908335 36.945032 37.038508 37.057796 37.083702 37.103009 37.133843 37.142452 37.172101 37.226595 37.300471 37.372204 37.388553 37.430036 37.567483 37.600764 37.666279 37.704033 37.779757 37.919340 37.929801 37.981130 37.998086 38.025153 38.282245 38.338363 38.353975 38.467426 38.529656 38.665366 38.700624 38.708930 38.769368 38.823922 38.874146 38.934992 38.993868 39.023920 39.133741 39.161595 39.242520 39.259024 39.283764 39.294300 39.365205 39.398126 39.436635 39.452950 39.515476 39.553280 39.558726 39.675754 39.736077 39.764306 39.776039 39.813987 39.952899 40.052977 40.095270 40.130595 40.176969 40.225876 40.308814 40.369224 40.379084 40.405883 40.469754 40.502681 40.622873 40.705887 40.731395 40.746986 40.761794 40.802082 40.841609 40.919202 40.935880 40.979538 41.011104 41.072500 41.211121 41.242457 41.245713 41.293905 41.415605 41.547214 41.591923 41.653174 41.709166 41.832223 41.880452 41.901989 41.936943 42.026138 42.043270 42.096325 42.201819 42.273691 42.303474 42.325143 42.374900 42.403086 42.474906 42.517140 42.647995 42.655313 42.756183 42.797350 42.922023 43.026883 43.056087 43.082010 43.157960 43.218758 43.272602 43.329050 43.338259 43.413993 43.497501 43.558167 43.608490 43.693041 43.705708 43.725932 43.813449 43.840156 43.938632 44.033069 44.075493 44.146438 44.191008 44.248780 44.292104 44.510784 44.537191 44.568335 44.627458 44.778462 44.799624 44.867523 44.910924 45.036658 45.140719 45.159848 45.173621 45.212950 45.318898 45.331610 45.424483 45.471750 45.733338 45.772279 45.876068 45.980259 46.028794 46.068207 46.115081 46.159700 46.316133 46.341290 46.378083 46.439953 46.533895 46.597148 46.725173 46.984147 47.000699 47.178063 47.267709 47.320024 47.479017 47.528099 47.541904 47.568956 47.738682 47.918047 47.980763 48.104636 48.152713 48.201660 48.270763 48.331104 48.387204 48.469379 48.635904 48.825988 48.950202 49.001017 49.101767 49.248993 49.359655 49.424273 49.549091 49.554532 49.668241 49.673808 49.752474 49.754482 49.880987 49.898265 49.981362 50.053990 50.161815 50.200887 50.210201 50.453397 50.622702 50.819472 50.876529 50.957363 51.038830 51.069390 51.095464 51.166751 51.235797 51.267963 51.326726 51.399774 51.556196 51.567579 51.635749 51.716946 51.766300 51.814488 51.897582 51.968817 52.111103 52.118747 52.128153 52.197938 52.253218 52.275115 52.423527 52.497481 52.626185 52.705376 52.789726 52.826848 52.844780 52.960033 53.017838 53.088869 53.120663 53.296064 53.355194 53.377215 53.480862 53.500416 53.619393 53.638425 53.684074 53.769789 53.835047 53.860690 54.010987 54.055751 54.200121 54.375080 54.417478 54.502799 54.606265 54.651498 54.667547 54.822505 54.879632 54.924324 54.944783 54.958062 55.031679 55.069596 55.146924 55.228071 55.360041 55.451218 55.498470 55.635861 55.652497 55.681625 55.829357 55.846941 56.022703 56.206443 56.268070 56.304329 56.394098 56.413504 56.622273 56.635374 56.701106 56.755668 56.778330 56.847293 56.881769 57.058627 57.131019 57.226944 57.299319 57.352535 57.418678 57.500297 57.601536 57.758804 57.808130 57.874551 57.972485 58.026002 58.084941 58.134414 58.159767 58.329451 58.385707 58.415450 58.534082 58.582236 58.595676 58.628851 58.659535 58.747956 58.894352 59.044999 59.171026 59.231014 59.251493 59.361330 59.387005 59.465063 59.491059 59.656229 59.744936 59.791890 59.855493 60.028244 60.036445 60.043920 60.262933 60.322424 60.347493 60.499337 60.573994 60.586903 60.693778 60.857391 60.901230 60.999992 61.256685 61.380103 61.447572 61.762342 61.848403 61.871982 62.049226 62.099713 62.258477 62.518833 63.118508 63.231077 63.480059 63.563169 63.678066 63.829352 63.858051 64.049253 64.196465 64.213280 64.364251 64.510222 64.763399 64.821242 65.158882 65.204432 65.513587 65.647680 65.715058 66.024225 66.048962 66.114456 66.338657 66.446543 66.461973 66.628306 66.695074 66.866771 66.873552 66.974434 67.038216 67.090231 67.161432 67.303367 67.373120 67.403901 67.435194 67.489211 67.630611 67.672421 67.828434 68.180012 68.330070 68.376009 68.472712 68.570421 68.675817 68.847674 68.969730 69.154756 69.158800 69.521636 70.233642 70.265682 70.559506 70.585712 70.840331 71.063591 71.213536 71.782958 71.934346 72.182338 72.306821 72.754606 73.547038 73.794366 73.839173 73.962988 74.312982 74.444287 74.634754 74.701737 75.611434 75.653714 75.746449 75.777048 76.775214 76.836027 77.011768 77.318616 77.486092 77.518622 77.984193 78.094976 78.221902 78.340381 78.555987 78.716463 79.255522 79.328774 79.379031 79.743746 80.868788 80.969926 81.290242 81.342155 81.658234 81.742140 82.918336 82.971894 83.017855 83.112115 83.538736 83.633691 83.651787 83.973899 84.008848 84.035271 84.444384 84.526233 84.724147 84.835793 85.215837 85.333573 86.181271 86.316992 86.555521 86.580488 86.873014 86.886977 89.991136 90.152209 91.040344 91.130161 91.593598 91.720201 91.855480 91.955076 93.716891 94.065331 102.658894 102.793010 102.963693 102.988251 103.010437 103.296775 103.345115 103.481902 103.563090 103.873459 103.974808 104.309063 104.474119 104.518319 104.831357 105.393455 106.203885 106.235809 106.456244 106.645709 106.863622 107.278797 120.176168 120.557634 121.376418 121.398624 121.840014 122.126157 122.174328 122.291966 122.475677 122.619894 123.024248 123.137635 123.466746 123.807248 123.999848 124.314648 124.356541 124.481834 124.492733 124.662213 124.788386 125.017850 125.400578 125.802335 125.846608 126.178332 126.306285 126.397962 126.664806 126.890030 126.962720 127.070977 127.301027 127.334999 127.512090 127.591311 127.641233 127.675747 127.762296 127.789279 127.972720 128.040354 128.318872 128.391621 128.705730 128.757677 128.791091 128.860316 129.250333 129.357272 129.659530 129.952189 130.120345 130.298429 130.352803 130.420250 130.531129 130.723008 130.751959 130.854939 130.995778 131.089032 131.283228 131.350963 131.395080 131.418120 131.558567 131.694378 131.825434 131.928339 131.933273 132.035141 132.049131 132.138337 132.223275 132.263047 132.370724 132.462623 132.645480 132.758360 132.817911 132.832600 133.054195 133.298752 133.357181 133.441539 133.592730 133.621824 133.686119 133.854506 133.941188 133.993942 134.050425 134.111718 134.503812 134.576685 134.767177 135.063980 135.301376 135.421117 135.452121 135.492744 135.749895 136.286831 136.337432 136.546302 136.569637 136.749060 136.938814 137.029995 137.152951 137.196404 137.595519 137.768129 137.999329 138.031875 138.180279 138.294168 138.950309 139.056765 139.128237 139.317723 139.392162 139.621331 139.809773 139.865138 140.047705 140.284031 140.310814 140.392455 140.486343 140.668190 141.137511 141.249086 141.275457 141.293135 141.526837 141.691158 142.028254 142.406019 142.491563 142.977699 143.074450 143.153647 143.221367 143.494687 143.681519 144.162929 144.229992 144.313316 144.357336 144.421153 144.971485 145.178009 145.220813 145.530696 145.852127 145.897158 146.084895 146.126159 146.680237 146.696075 146.839796 147.158675 147.244608 147.333351 147.432124 147.612523 147.671437 147.781633 147.915350 147.938555 148.102252 148.222552 148.650052 148.665055 148.763344 148.931461 149.176224 149.343394 149.805723 149.909459 150.821632 150.975701 151.081370 151.763579 151.947958 152.006638 152.392151 152.482865 152.611278 152.701074 152.893890 152.974215 153.113383 153.404349 153.611977 153.708720 153.855938 153.866977 154.051225 154.091485 154.339466 154.416946 154.463424 154.692121 155.053844 155.132318 155.190521 155.224638 155.353298 155.446468 155.606775 155.658307 155.709758 155.754565 156.215381 156.268526 156.401971 156.491772 156.921144 156.938876 157.291972 157.803527 157.786502 157.931809 158.042307 158.599707 159.123463 159.328418 159.342237 159.836469 160.280543 160.315731 161.364669 161.965039 162.209016 162.697802 163.172421 164.399596 164.770552 164.975664 165.296354 165.608625 165.797277 166.199461 166.386133 166.698379 167.292554 167.510723 167.604396 167.688968 168.283540 168.324004 168.783713 168.972913 169.161060 169.269542 169.346207 170.006887 170.127069 170.351154 170.614505 170.928039 170.957727 172.111136 172.123371 172.562926 172.715760 172.763544 172.792204 172.989365 173.094254 173.117735 173.465583 173.550726 173.608656 174.346160 175.107402 175.425513 175.516152 175.619792 176.291982 176.850655 177.247710 177.923230 178.553009 178.901360 179.328819 180.511034 180.872175 180.916047 181.985568 182.360186 182.578079 182.858013 183.052220 183.733031 183.878262 185.793922 186.109516 188.903562 189.501756 923.489149 923.700425 923.944423 924.192103 926.340767 926.474004 926.793158 927.044669 930.310330 930.403548 930.720298 931.038460 931.577216 931.886768 932.432720 932.438446 932.735328 934.362354 934.537367 934.623915 935.697776 935.875498 936.286581 936.424349 936.758561 937.129818 937.441894 937.596383 937.905247 937.937125 938.480956 938.523968 939.289666 939.823115 940.539200 940.667307 941.041341 941.635471 941.888260 943.508260 943.805672 943.971525 945.294739 945.541817 945.877315 946.291720 947.493349 947.991381 948.211138 950.055225 951.645617 952.148679 952.744045 953.424099 954.163474 954.252685 954.552192 954.808395 955.940031 956.273186 957.164178 957.257583 957.390628 969.145040 969.441701 971.033299 971.550385 972.134308 973.074418 975.578571 976.036728 979.574199 979.951566 981.759636 982.116478 982.651192 982.815851 983.188083 983.213894 48080.439898 48082.452943 82907.625357 82910.585106 82922.327998 82924.000258 82924.979861 82926.209954 82927.918169 82928.264250 82940.116945 82940.671675 82942.090565 82942.184812 82943.144158 82943.298516 82945.466362 82946.308666 82947.162557 82947.345118 82949.003579 82950.283838 82954.822611 82957.229788 -81.338288 -81.337262 -80.776957 -80.775678 -80.762054 -80.760454 -80.744265 -80.739872 -80.738417 -80.734409 -80.734253 -80.733687 -80.728972 -80.722445 -80.721883 -80.720101 -80.713634 -80.704864 -80.667268 -80.662860 -80.660451 -80.653352 -46.014389 -46.013257 -45.970134 -45.968481 -45.923850 -45.915822 -45.589556 -45.589410 -45.573810 -45.572103 -45.540208 -45.536222 -45.534518 -45.531319 -45.525617 -45.524291 -45.512656 -45.505566 -45.503940 -45.502621 -45.494983 -45.487854 -45.480248 -45.473643 -45.461820 -45.454294 -45.454128 -45.451891 -45.434074 -45.431761 -45.429922 -45.426918 -45.423734 -45.419786 -45.412408 -45.408130 -45.406404 -45.402736 -45.398969 -45.392735 -45.392317 -45.389765 -45.389439 -45.382615 -45.377033 -45.375722 -45.375292 -45.367251 -45.366351 -45.358873 -45.356243 -45.347123 -45.346583 -45.340786 -45.336325 -45.334020 -45.329513 -45.327600 -45.321787 -45.309697 -45.309142 -45.300769 -45.295862 -45.285523 -45.281463 -45.267504 -27.611222 -27.610501 -26.059610 -26.035503 -25.487212 -25.484435 -25.294362 -25.287273 -25.271408 -25.270533 -25.162816 -25.162480 -24.571798 -24.563527 -24.259667 -24.252078 -24.221687 -24.216982 -24.180651 -24.174151 -24.155550 -24.134148 -24.065467 -24.052149 -24.036143 -24.004865 -23.937736 -23.853433 -23.844012 -23.804328 -23.796302 -23.788754 -23.755422 -23.687561 -23.682279 -23.665725 -23.653267 -23.529779 -23.516243 -23.500365 -23.477781 -23.473209 -23.451247 -23.449307 -23.426336 -23.346735 -23.319277 -23.318746 -23.298706 -23.298595 -23.270211 -23.233111 -23.226932 -23.217363 -23.211099 -23.209554 -23.193942 -23.184529 -23.181077 -23.177392 -23.170409 -23.162355 -23.157791 -23.153576 -23.151568 -23.149813 -23.148772 -23.137676 -23.129599 -23.123383 -23.119359 -23.117826 -23.105541 -23.104297 -23.103159 -23.092518 -23.089516 -23.066400 -23.038006 -23.028895 -22.984825 -15.367155 -15.350822 -13.338443 -13.331080 -13.236727 -13.149541 -13.126662 -13.120033 -13.115115 -13.100261 -13.064054 -13.032009 -13.018051 -13.015597 -13.004040 -12.995243 -12.868748 -12.863075 -12.827593 -12.819114 -12.774026 -12.754007 -12.670175 -12.644224 -12.170289 -12.165862 -12.140847 -12.132454 -12.110694 -12.069546 -12.067997 -12.056391 -12.001365 -11.991437 -11.986483 -11.956060 -11.944002 -11.940387 -11.830041 -11.793795 -11.726143 -11.682118 -11.649302 -11.449675 -11.429825 -11.424611 -11.418795 -11.353946 -11.340488 -11.305764 -11.253711 -11.234071 -11.171213 -11.140548 -11.138759 -11.130660 -11.125116 -11.080426 -11.042905 -10.924377 -10.888303 -10.720860 -10.709001 -10.700609 -10.687070 -10.665894 -10.653455 -10.645013 -10.632335 -10.629087 -10.620414 -10.566086 -10.551119 -10.543211 -10.530174 -10.512030 -10.494540 -10.476878 -10.444097 -10.438818 -10.431333 -10.398592 -10.349563 -10.318503 -10.292107 -10.280888 -10.266819 -10.257298 -10.238082 -10.210715 -10.174854 -10.147554 -10.136758 -10.119523 -10.103189 -10.083561 -10.068276 -10.059591 -10.049191 -10.035607 -10.027246 -10.016749 -9.982138 -9.958075 -9.938440 -9.924854 -9.917309 -9.885110 -9.859443 -9.844385 -9.840584 -9.832036 -9.809897 -9.755989 -9.721152 -9.719552 -9.715995 -9.704099 -9.675800 -9.671570 -9.670315 -9.663251 -9.662288 -9.651893 -9.650193 -9.640293 -9.632336 -9.525271 -9.513493 -9.511239 -9.504563 -9.476779 -9.453778 -9.425832 -9.419505 -9.348876 -9.343326 -9.335966 -9.333629 -9.297505 -9.288476 -9.260458 -9.254025 -9.227201 -9.196716 -9.174487 -9.167056 -9.136801 -9.131068 -9.123424 -9.117711 -9.083268 -9.063845 -9.058831 -9.053649 -9.044185 -9.020956 -9.009816 -8.991701 -8.897978 -8.884581 -8.788846 -8.759049 -8.719231 -8.694480 -8.678516 -8.571157 -8.564060 -8.532003 -8.511389 -8.468348 -8.459866 -8.444690 -8.416453 -8.371554 -8.351453 -8.329620 -8.312560 -8.269661 -8.232850 -8.183522 -8.175889 -8.166881 -8.144565 -8.128404 -8.114610 -8.094274 -8.052804 -8.004134 -7.983536 -7.944264 -7.905652 -7.873617 -7.837866 -7.814473 -7.802481 -7.800760 -7.775510 -7.761430 -7.753376 -7.715686 -7.706330 -7.689714 -7.674194 -7.663967 -7.651777 -7.646417 -7.631751 -7.621636 -7.608670 -7.603792 -7.588755 -7.587207 -7.578042 -7.573514 -7.548470 -7.542317 -7.539832 -7.531610 -7.528899 -7.520698 -7.506781 -7.498237 -7.473560 -7.469007 -7.458077 -7.450506 -7.325426 -7.287742 -7.281490 -7.262815 -7.259263 -7.234970 -7.222321 -7.199728 -7.195179 -7.162104 -7.149927 -7.133454 -6.938604 -6.922532 -6.915009 -6.889762 -5.671476 -5.643934 -5.589579 -4.620801 -4.213724 -4.190849 -4.177203 -4.128009 -4.035143 -3.962330 -3.944241 -3.917747 -3.871675 -3.846945 -3.758642 -3.736457 -3.720296 -3.578176 -3.570801 -3.508831 -3.436661 -3.409140 -3.338917 -3.283416 -3.256047 -3.220342 -3.215080 -3.173127 -3.156283 -3.151884 -3.125621 -2.945101 -2.937121 -2.906072 -2.883228 -2.870623 -2.858567 -2.841415 -2.832503 -2.790406 -2.731842 -2.727384 -2.716407 -2.698034 -2.642776 -2.638732 -2.608840 -2.585880 -2.564490 -2.548263 -2.510327 -2.467215 -2.421235 -2.392177 -2.291924 -2.261854 -2.234567 -2.144108 -2.128995 -2.111849 -2.098956 -1.987676 -1.986886 -1.982617 -1.953280 -1.947069 -1.945159 -1.930126 -1.906585 -1.834387 -1.815565 -1.811021 -1.796063 -1.688622 -1.648478 -1.629977 -1.527173 -1.506520 -0.960888 -0.856662 -0.796683 -0.774301 -0.761078 -0.700744 -0.657966 -0.546405 -0.526473 -0.504160 -0.293231 -0.271365 -0.167622 -0.155658 -0.140194 -0.108790 -0.101010 -0.094485 -0.059709 -0.028918 -0.009208 0.003920 0.011837 0.150035 0.170920 0.196467 0.240063 0.265671 0.331181 0.339233 0.347918 0.392301 0.432042 0.478202 0.507675 0.568749 0.599960 0.609564 0.626295 0.659940 0.749208 0.794997 0.902378 0.907662 0.922952 1.001803 1.012800 1.043174 1.057702 1.090286 1.143205 1.179119 1.221478 1.290363 1.325643 1.330018 1.359032 1.401393 1.488969 1.510213 1.531537 1.578641 1.626063 1.637440 1.686044 1.750623 1.770802 1.912524 1.968854 1.989093 2.023717 2.037110 2.120493 2.135898 2.177332 2.281209 2.328532 2.361662 2.437511 2.454557 2.474818 2.513314 2.587430 2.655366 2.673587 2.721431 2.774725 2.783723 2.807752 2.873783 2.898326 3.034177 3.060474 3.103020 3.138253 3.296013 3.377538 3.431632 3.510472 3.512207 3.636565 3.644923 3.694479 3.736786 3.743712 3.806716 3.859350 3.890761 3.898682 3.950147 3.967904 3.999136 4.027684 4.081790 4.105314 4.142841 4.199706 4.289960 4.305369 4.311983 4.364650 4.453655 4.520890 4.599960 4.631984 4.656568 4.744134 4.760799 4.789973 4.842513 4.905976 4.912191 4.954866 5.019901 5.075063 5.100188 5.128764 5.158848 5.212683 5.215296 5.217378 5.246535 5.271050 5.326734 5.378128 5.440543 5.526620 5.546035 5.580840 5.636406 5.668669 5.674881 5.783359 5.860164 5.918214 5.937288 5.989817 6.103366 6.126999 6.174988 6.247641 6.253519 6.312990 6.325492 6.355489 6.368650 6.372094 6.430630 6.447032 6.500349 6.516801 6.539147 6.570938 6.589325 6.641471 6.664357 6.694988 6.745256 6.759468 6.798157 6.832241 6.842415 6.894363 6.968254 6.988657 6.996938 7.013174 7.084212 7.128663 7.137127 7.163601 7.222552 7.288355 7.356875 7.386300 7.392856 7.429363 7.454310 7.480966 7.515532 7.649655 7.685306 7.741184 7.765936 7.785737 7.817880 7.876162 7.936295 7.966639 8.038031 8.041684 8.155511 8.226432 8.262675 8.296333 8.297827 8.311005 8.354781 8.392037 8.437220 8.458139 8.472910 8.503687 8.505142 8.536901 8.577466 8.636626 8.642892 8.648667 8.745267 8.765161 8.786899 8.793698 8.831222 8.869056 8.901172 8.962314 8.985643 9.007877 9.076386 9.120307 9.150531 9.167781 9.202907 9.267818 9.323805 9.341280 9.369453 9.400634 9.439770 9.465760 9.549086 9.553525 9.619722 9.638755 9.669466 9.673985 9.745262 9.751211 9.859002 9.866985 9.872998 9.932706 9.962852 9.992342 9.998013 10.103843 10.121936 10.151220 10.204833 10.246513 10.286314 10.325344 10.360718 10.418409 10.484061 10.506578 10.529928 10.568479 10.580642 10.639546 10.653130 10.712913 10.740907 10.767920 10.801475 10.860768 10.875578 10.897747 10.979330 11.000587 11.082780 11.139883 11.167039 11.197378 11.227656 11.234796 11.338346 11.367409 11.423842 11.456386 11.528142 11.637683 11.676871 11.703551 11.762384 11.786814 11.792577 11.875238 11.932770 11.940906 12.073686 12.111812 12.145241 12.197541 12.262769 12.344809 12.373759 12.393590 12.430762 12.461870 12.515155 12.534274 12.672557 12.712686 12.796195 13.111554 13.189746 13.223383 13.232471 13.293770 13.317633 13.346288 13.400590 13.488422 13.796030 13.813073 13.827641 13.895084 14.018607 14.042467 14.189313 14.290005 14.378625 14.398229 14.424448 14.467230 14.549596 14.569460 14.739059 14.758700 14.869597 14.926689 14.950662 15.038989 15.056866 15.200740 15.268777 15.417182 15.506036 15.530634 15.546510 15.647674 15.655903 15.697569 15.720076 15.835140 15.963813 16.031158 16.171550 16.208516 16.253079 16.344817 16.371702 16.462391 16.512030 16.542141 16.675414 16.864246 16.899627 16.976343 16.996280 17.015893 17.022525 17.038997 17.058602 17.115682 17.126596 17.202957 17.231084 17.295391 17.314664 17.398050 17.411190 17.486720 17.496618 17.579288 17.600101 17.603709 17.739417 17.774508 17.806410 17.845663 17.888512 17.950391 18.020053 18.035866 18.096735 18.114133 18.269870 18.325392 18.416515 18.445152 18.515900 18.532591 18.611934 18.626571 18.685082 18.831633 18.869138 18.900761 18.973543 19.049124 19.103079 19.197834 19.220843 19.255205 19.369150 19.410610 19.451665 19.475156 19.567905 19.604668 19.649925 19.681285 19.762633 19.773643 19.818800 19.825525 19.848508 19.903645 19.960023 19.988280 20.020366 20.047932 20.123176 20.142927 20.172267 20.287041 20.327423 20.363582 20.417650 20.426078 20.443991 20.531392 20.556216 20.570741 20.668628 20.682220 20.774418 20.864798 20.914115 20.937806 20.993985 21.020542 21.074035 21.127116 21.168920 21.190806 21.252552 21.326095 21.457258 21.480611 21.616699 21.680359 21.725478 21.792110 21.821148 21.862574 21.911560 21.964961 21.997658 22.079726 22.149032 22.216800 22.237060 22.392576 22.436198 22.510032 22.533837 22.570452 22.587933 22.625487 22.652218 22.691788 22.737773 22.799078 22.836277 22.881197 22.942733 23.068495 23.169037 23.200635 23.219731 23.252810 23.325363 23.390242 23.467785 23.477722 23.661407 23.700140 23.732294 23.754865 23.817939 23.911745 24.023060 24.057334 24.103043 24.116066 24.249068 24.259004 24.287059 24.452074 24.591941 24.675074 24.800258 24.884011 24.897619 24.968719 25.049944 25.093379 25.172974 25.198314 25.214618 25.276774 25.343780 25.375771 25.409116 25.483826 25.498046 25.609140 25.635586 25.718637 25.819468 25.859330 25.906219 25.940439 26.057041 26.069879 26.130625 26.154272 26.188283 26.215971 26.239065 26.339411 26.358350 26.378356 26.448620 26.521609 26.535806 26.538204 26.582119 26.659411 26.692369 26.732187 26.758704 26.801836 26.959963 26.973821 26.989473 27.143511 27.177673 27.214570 27.386026 27.416527 27.430180 27.460987 27.488245 27.563211 27.607885 27.622348 27.646341 27.694761 27.712322 27.729778 27.763911 27.848009 27.851023 27.960686 27.979792 27.997897 28.059762 28.098302 28.134836 28.158359 28.250155 28.287336 28.378198 28.434422 28.464074 28.504462 28.529084 28.614171 28.657655 28.677099 28.701557 28.716726 28.778621 28.852264 28.871107 28.918819 29.024470 29.061256 29.095086 29.119106 29.149460 29.153652 29.175086 29.203085 29.254407 29.276899 29.296116 29.313891 29.477219 29.519107 29.579023 29.599286 29.625096 29.671475 29.699663 29.738356 29.757713 29.786836 29.867984 29.962355 29.989178 30.103050 30.165891 30.203924 30.235545 30.310602 30.316437 30.341000 30.385036 30.403057 30.492951 30.505019 30.572497 30.621080 30.662072 30.737898 30.792905 30.805913 30.822656 30.905322 30.925004 30.942227 30.962888 30.974458 31.040413 31.110783 31.147779 31.155673 31.179988 31.266705 31.283295 31.331341 31.394299 31.523601 31.589042 31.622085 31.636173 31.708729 31.727771 31.745114 31.824261 31.870589 31.887526 31.933717 31.956389 32.026285 32.050964 32.120606 32.125097 32.145405 32.172544 32.213876 32.246686 32.258383 32.289277 32.348488 32.386153 32.416699 32.423879 32.431191 32.515031 32.520657 32.531742 32.540376 32.549036 32.582399 32.640863 32.654506 32.690786 32.703985 32.754509 32.765613 32.794904 32.854036 32.868131 32.980184 32.985231 33.014424 33.026616 33.056573 33.126585 33.139025 33.180164 33.227372 33.236675 33.250637 33.253087 33.345113 33.398982 33.426405 33.439976 33.460716 33.498063 33.550073 33.575744 33.634764 33.647300 33.695606 33.700935 33.753113 33.781688 33.799650 33.824247 33.864223 33.876451 33.910262 33.920549 33.935196 33.970684 34.026460 34.069003 34.092197 34.114826 34.138706 34.196576 34.216967 34.233820 34.285344 34.329430 34.340822 34.362366 34.374756 34.434909 34.443078 34.485198 34.508547 34.538510 34.559812 34.682607 34.686025 34.723680 34.775000 34.777442 34.784592 34.805258 34.882323 34.902809 34.910372 34.943346 34.978567 35.019566 35.061460 35.129070 35.133495 35.183858 35.198983 35.304513 35.348863 35.485304 35.511822 35.519307 35.564809 35.583269 35.670276 35.678199 35.692951 35.717630 35.743322 35.755763 35.813716 35.834572 35.856907 35.915513 35.954262 36.023642 36.044271 36.064028 36.112311 36.152264 36.168208 36.241260 36.285281 36.304164 36.376231 36.462494 36.478777 36.497836 36.515079 36.518256 36.569107 36.575000 36.627525 36.657006 36.665751 36.684773 36.727586 36.778596 36.810073 36.857510 36.870196 36.910075 36.950070 37.042239 37.067316 37.083578 37.106292 37.137647 37.146555 37.176051 37.229554 37.302384 37.378214 37.392422 37.434206 37.571906 37.603929 37.671296 37.709066 37.781356 37.920766 37.938726 37.996089 38.005088 38.015276 38.284752 38.345426 38.356617 38.472882 38.534801 38.668863 38.707506 38.710646 38.780557 38.828018 38.879638 38.934777 38.997568 39.028396 39.141587 39.166124 39.253349 39.257116 39.288463 39.302965 39.367869 39.400311 39.438121 39.463172 39.519369 39.558408 39.564174 39.680293 39.741898 39.772200 39.775368 39.820024 39.960696 40.052974 40.105434 40.135730 40.178382 40.229900 40.313554 40.373689 40.383923 40.412105 40.473100 40.509368 40.629743 40.708514 40.736467 40.750819 40.768621 40.811040 40.845374 40.925720 40.938158 40.985137 41.019127 41.075811 41.223795 41.238147 41.249506 41.303635 41.420538 41.552441 41.599171 41.658522 41.714777 41.841302 41.887917 41.903677 41.941482 42.029466 42.052246 42.100962 42.208345 42.280007 42.309363 42.331753 42.386237 42.406690 42.483511 42.520421 42.651969 42.663987 42.760202 42.804900 42.937714 43.031554 43.062036 43.083911 43.163535 43.223613 43.270138 43.336233 43.350040 43.423143 43.505629 43.565073 43.616841 43.694435 43.718730 43.733101 43.825629 43.840905 43.954940 44.034197 44.088250 44.149259 44.194539 44.259534 44.295860 44.518819 44.545449 44.578321 44.635591 44.787925 44.807419 44.874275 44.918537 45.041811 45.147729 45.168352 45.177819 45.220129 45.321195 45.341690 45.436370 45.471665 45.743417 45.772050 45.887849 45.984247 46.034870 46.073167 46.124666 46.164767 46.321813 46.352628 46.383145 46.446389 46.528835 46.617238 46.739819 46.982467 47.010750 47.187357 47.273612 47.325612 47.487342 47.541005 47.550503 47.575891 47.743851 47.924272 47.990100 48.114931 48.160141 48.210815 48.281056 48.335500 48.391243 48.477418 48.645521 48.832306 48.957823 49.001739 49.115169 49.257277 49.366424 49.432369 49.556503 49.560892 49.672926 49.682140 49.755521 49.769716 49.886617 49.908261 49.989324 50.062197 50.169653 50.209040 50.219394 50.458163 50.631349 50.829487 50.880975 50.965086 51.046281 51.079026 51.104776 51.174905 51.247770 51.258502 51.340057 51.409791 51.562513 51.582175 51.643229 51.720283 51.773195 51.822615 51.900934 51.982438 52.116398 52.126360 52.137656 52.203387 52.261845 52.281786 52.430335 52.507266 52.634487 52.708953 52.796467 52.836531 52.853402 52.970983 53.024293 53.104635 53.123095 53.303045 53.366008 53.381192 53.484680 53.507183 53.626249 53.651145 53.690406 53.779342 53.842504 53.868458 54.015615 54.064735 54.208597 54.381647 54.427223 54.512035 54.615960 54.659812 54.677012 54.833866 54.884236 54.931479 54.948462 54.972724 55.041736 55.079469 55.154432 55.235823 55.368178 55.460017 55.507387 55.641711 55.663561 55.691147 55.832671 55.859623 56.030846 56.208113 56.279868 56.312620 56.402193 56.427381 56.627588 56.643273 56.704618 56.766391 56.789702 56.860060 56.894041 57.069903 57.149109 57.242157 57.308591 57.365388 57.427016 57.507804 57.600906 57.758206 57.816630 57.875779 57.995263 58.046101 58.089117 58.148665 58.165185 58.333711 58.391818 58.432869 58.545278 58.594363 58.604153 58.636035 58.670611 58.758783 58.904006 59.057593 59.179804 59.240788 59.261203 59.362210 59.403318 59.475246 59.499526 59.664210 59.755466 59.800166 59.867225 60.038543 60.043946 60.054075 60.271711 60.328337 60.361757 60.508883 60.582482 60.597906 60.702164 60.868663 60.913180 61.007739 61.265398 61.390090 61.459208 61.770723 61.854495 61.885432 62.059034 62.109929 62.268470 62.529413 63.131233 63.241764 63.489707 63.573449 63.687662 63.839324 63.870755 64.059123 64.210534 64.220295 64.375629 64.523024 64.771976 64.836435 65.173164 65.214640 65.523805 65.663276 65.726950 66.035385 66.062982 66.127857 66.349843 66.457237 66.478355 66.638555 66.707231 66.881258 66.885550 66.991356 67.055759 67.098182 67.173180 67.322221 67.382274 67.418598 67.451387 67.499352 67.644071 67.685995 67.842769 68.193810 68.343641 68.390130 68.485229 68.585284 68.688026 68.858908 68.987750 69.160542 69.180391 69.535995 70.201775 70.327283 70.585197 70.590124 70.850887 71.081210 71.228202 71.795282 71.952795 72.198384 72.321415 72.770817 73.563201 73.810779 73.849178 73.977886 74.333421 74.475617 74.622982 74.733381 75.622850 75.669635 75.760245 75.801164 76.783356 76.870460 77.029334 77.327063 77.511873 77.529802 78.002428 78.114002 78.242493 78.359020 78.567253 78.741988 79.285822 79.346610 79.391450 79.765761 80.892023 80.986826 81.299414 81.373965 81.676818 81.764627 82.938783 82.992996 83.038680 83.131146 83.563328 83.650840 83.672890 83.993896 84.038960 84.047991 84.467345 84.546951 84.743779 84.858749 85.239470 85.353564 86.203249 86.339758 86.567184 86.614878 86.900233 86.905170 90.007617 90.178766 91.063440 91.157051 91.614264 91.741397 91.877995 91.975095 93.745306 94.094103 102.726947 102.861447 103.034370 103.058416 103.080868 103.366936 103.415977 103.552760 103.633564 103.943877 104.045851 104.380312 104.544360 104.591151 104.903848 105.464847 106.277009 106.311949 106.530374 106.720588 106.927764 107.347597 120.218254 120.602129 121.416787 121.447949 121.882124 122.168345 122.218624 122.335192 122.519801 122.663254 123.074956 123.186795 123.515085 123.853353 124.044344 124.358981 124.398152 124.527024 124.541256 124.709889 124.835391 125.064805 125.446965 125.848172 125.894051 126.230181 126.355929 126.446161 126.713704 126.936071 127.012597 127.120155 127.348041 127.382470 127.559205 127.636878 127.694544 127.726259 127.810142 127.836818 128.021503 128.088383 128.366327 128.441508 128.753541 128.806888 128.843533 128.911124 129.300033 129.404828 129.709694 129.999598 130.165659 130.347071 130.404898 130.467710 130.577435 130.773961 130.804615 130.906578 131.045976 131.139206 131.332506 131.399063 131.444621 131.467395 131.610735 131.746080 131.879216 131.982025 131.987838 132.090728 132.103488 132.189648 132.268211 132.316922 132.426882 132.516758 132.700294 132.811045 132.870384 132.883706 133.108241 133.351679 133.411850 133.498618 133.645041 133.676846 133.740854 133.914511 133.996189 134.052100 134.109764 134.165870 134.555963 134.638782 134.821488 135.126664 135.354916 135.474968 135.512545 135.550566 135.810666 136.336670 136.398026 136.611090 136.623201 136.804756 136.995861 137.093068 137.205132 137.248419 137.652982 137.826155 138.068401 138.094711 138.240154 138.353249 139.012953 139.122062 139.187329 139.383667 139.452908 139.685033 139.868332 139.929522 140.108506 140.354771 140.378244 140.455590 140.547926 140.736830 141.201453 141.312622 141.343221 141.354672 141.589010 141.755667 142.088830 142.471457 142.553544 143.037487 143.158729 143.211861 143.287589 143.571109 143.752781 144.232632 144.299461 144.380869 144.422611 144.491934 145.051372 145.250605 145.314476 145.600842 145.952973 145.988307 146.176507 146.227933 146.780147 146.788765 146.930854 147.238480 147.333695 147.431809 147.532713 147.722069 147.785527 147.872491 148.019961 148.035787 148.196808 148.310923 148.747677 148.762338 148.848151 149.031674 149.261979 149.443365 149.901929 150.000749 150.913520 151.062042 151.186026 151.848927 152.038062 152.113710 152.484574 152.585877 152.718884 152.807903 153.006208 153.079297 153.215857 153.518027 153.721572 153.828328 153.971981 153.981304 154.164005 154.219010 154.453528 154.529627 154.577900 154.799479 155.158519 155.251655 155.300802 155.334679 155.461073 155.555397 155.716963 155.763845 155.814284 155.860717 156.311618 156.375022 156.507917 156.594155 157.022466 157.049788 157.398080 157.899518 157.903640 158.045562 158.148393 158.712099 159.242082 159.435694 159.451672 159.940996 160.362014 160.427270 161.468421 162.065906 162.319772 162.810097 163.260664 164.481449 164.848092 165.053061 165.375276 165.686916 165.870921 166.274512 166.468049 166.781752 167.378379 167.587090 167.688920 167.773483 168.360789 168.410190 168.865647 169.056436 169.242504 169.348867 169.429388 170.089561 170.213124 170.436918 170.697261 171.009513 171.044821 172.195694 172.204578 172.644146 172.795284 172.848304 172.871078 173.073364 173.176658 173.199436 173.547882 173.636672 173.695700 174.432924 175.192101 175.512438 175.605454 175.710826 176.377658 176.936086 177.331590 178.003495 178.636828 178.983768 179.418891 180.602492 180.961465 181.008000 182.073300 182.454402 182.672472 182.952874 183.146130 183.828121 183.973331 185.887293 186.204828 189.001312 189.601478 925.744639 925.956256 926.201558 926.450090 928.607206 928.741241 929.061123 929.313282 932.589695 932.687776 933.003723 933.322798 933.863956 934.174296 934.724406 934.726618 935.026451 936.659683 936.836462 936.920592 938.000560 938.178120 938.591239 938.729756 939.065113 939.437666 939.749697 939.907086 940.219722 940.244599 940.793994 940.837965 941.606065 942.141353 942.859573 942.988971 943.363836 943.962208 944.214587 945.841812 946.132556 946.311352 947.636742 947.879649 948.218790 948.635532 949.844907 950.340443 950.562391 952.411686 954.012243 954.511316 955.114250 955.794851 956.541131 956.624404 956.925993 957.184386 958.321873 958.655288 959.546179 959.644226 959.780748 971.582138 971.873001 973.475122 973.993666 974.580119 975.523514 978.037667 978.497868 982.050748 982.426034 984.243208 984.600611 985.138032 985.303412 985.677013 985.703160 55220.100273 55222.572277 105111.878108 105116.056005 105132.632679 105134.994201 105136.376919 105138.122484 105140.560499 105141.059657 105157.777772 105158.555527 105160.529505 105160.662690 105162.019620 105162.236478 105165.303246 105166.493499 105167.696427 105167.952753 105170.296437 105172.104425 105178.517737 105181.915829</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">-33.22385249</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-904.067506</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-4</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000122292</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00113135981205</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00036226781856</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">2.4806 2.4877 2.5002 2.4765 2.4452 -0.7299 -0.9419 2.5521 0.3208 2.1599 -0.7291 2.4444 -0.9359 -0.9392 -0.9398 -0.9408 -0.9408 -0.9706 -0.7661 -0.9418 -0.9363 -0.9454 -1.0002 -0.9105 -0.9449 -1.0235 -0.9514 -0.9963 -0.9220 -0.7207 -0.9217 -0.7260 -0.9253 -1.0260 -0.7277 2.4800 -0.7294 2.4450 2.4755 -1.0263 2.5029 2.4874 -0.9945 2.4798 -0.9446 2.4440 -0.9361 -0.9409 2.4749 2.5049 0.9160 2.4903 -0.7724 -0.7297 2.5558 -0.9378 -0.9230 2.4441 -0.9376 -0.9410 -0.9347 -0.9389 -0.9363 -0.9448 -1.0010 -0.7195 -0.7678 -0.9420 -0.9410 -0.9127 -0.9245 2.4798 2.4907 2.5063 2.4753 2.4446 -0.9708 -0.9964 -0.7080 -1.0230 -0.9187 -0.9351 0.9132 -1.0262 -0.7277 2.1590 -0.7272 -0.7194 -1.0258 -0.9224 -0.9097 -0.9133 -0.7271 -0.7268 -0.7720 -0.7259 -0.7270 -0.9355 -0.9402 -0.9447 -0.9363 -0.7210 -0.9950 -0.9180 -0.9454 -0.9403 -0.7073 -0.9416 0.3210</array>
                        <array dataType="xsd:double" dictRef="a:spinDensity" size="109">-0.0125 0.0001 -0.0254 0.0003 -0.0228 -0.0077 0.0014 -0.0021 0.0000 -1.7815 0.0074 -0.0014 -0.0021 -0.0443 -0.0039 0.0002 0.0012 -0.0319 -0.0131 -0.0022 -0.0024 0.0018 -0.0481 0.0003 0.0002 0.0069 0.0002 0.0008 -0.0599 -0.0004 0.0003 -0.0001 -0.0632 -0.0003 0.0009 0.0124 -0.0074 0.0230 -0.0003 -0.0003 0.0257 -0.0001 0.0423 0.0125 0.0017 0.0245 -0.0022 -0.0025 -0.0001 0.0252 0.0000 -0.0003 -0.0129 0.0078 0.0021 -0.0023 0.0603 0.0014 0.0023 -0.0002 0.0034 0.0444 0.0021 -0.0002 0.0480 0.0004 0.0130 -0.0014 0.0025 -0.0003 0.0633 -0.0126 0.0003 -0.0255 0.0001 -0.0245 0.0317 -0.0008 -0.0001 -0.0069 -0.0003 -0.0035 -0.0000 0.0003 -0.0009 1.7818 0.0001 -0.0004 0.0003 -0.0003 -0.0003 0.0003 -0.0001 0.0009 0.0129 0.0001 -0.0009 0.0021 0.0040 -0.0017 0.0025 0.0004 -0.0430 0.0003 -0.0017 -0.0012 0.0001 0.0022 -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">1.0500 1.0503 1.0497 1.0497 1.0480 1.0486 1.0513 1.0513 1.0512 1.0513 0.9893 0.9894 0.9750 0.9749 1.0502 1.0502 0.2899 0.2899 0.1272 0.1572 0.9894 0.9893 0.2511 0.2512 0.9688 0.9688 0.9734 0.9741 0.9744 0.9744 0.9746 0.9746 0.9749 0.9748 0.9692 0.9697 0.9892 0.9894 0.9683 0.9683 0.9739 0.9739 0.9683 0.9681 0.9728 0.9717 0.9748 0.9748 0.9676 0.9676 0.9457 0.9452 0.9765 0.9765 0.9464 0.9464 0.9787 0.9780 0.9896 0.9896 0.9700 0.9700 0.9889 0.9889 0.9790 0.9783 0.9461 0.9461 0.9890 0.9890 1.0502 1.0500 0.9893 0.9894 1.0512 1.0512 1.0514 1.0514 0.9462 0.9462 1.0484 1.0478 1.0497 1.0497 0.9719 0.9731 1.0503 1.0501 0.9683 0.9682 1.0514 1.0513 0.9739 0.9739 0.9683 0.9683 1.0519 1.0519 1.0486 1.0481 1.0193 1.0192 1.0484 1.0485 0.9895 0.9896 0.9894 0.9893 1.0501 1.0501 0.9686 0.9685 0.9780 0.9787 0.2513 0.2513 0.9685 0.9686 0.9746 0.9746 0.9749 0.9749 0.9742 0.9735 0.9739 0.9739 0.9676 0.9676 0.9717 0.9728 0.9897 0.9897 0.9894 0.9893 0.9748 0.9750 0.9683 0.9683 0.9719 0.9719 0.9783 0.9789 1.0500 1.0502 1.0484 1.0484 1.0481 1.0486 1.0518 1.0518 1.0511 1.0512 0.9697 0.9692 0.9464 0.9464 0.9453 0.9453 0.9451 0.9457 0.9738 0.9738 0.9749 0.9749 1.0197 1.0198 0.9462 0.9462 0.9890 0.9890 0.1569 0.1270 0.9887 0.9887 0.9897 0.9897 0.9461 0.9461 0.9697 0.9698 0.9749 0.9749 0.9718 0.9717 0.9887 0.9887 0.9890 0.9890 0.9896 0.9895 0.9889 0.9889 0.9890 0.9890 0.9688 0.9689 0.9744 0.9743 0.9682 0.9683 0.9739 0.9739 0.9896 0.9896 0.9731 0.9719 0.9738 0.9737 0.9681 0.9682 0.9749 0.9750 0.9453 0.9453 0.9683 0.9683 0.2898 0.2898</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="218">3.0543 3.0550 3.0526 3.0526 3.0620 3.0646 3.0552 3.0552 3.0601 3.0624 2.3532 2.3609 2.4807 2.4792 3.0572 3.0572 0.0497 0.0497 -0.1766 -0.1792 2.3603 2.3529 0.6095 0.6108 2.4836 2.4858 2.4582 2.5019 2.4781 2.4820 2.4796 2.4794 2.4801 2.4788 2.4852 2.5166 2.3689 2.3820 2.4865 2.4886 2.4770 2.4794 2.4908 2.4888 2.4907 2.5355 2.4653 2.4650 2.4900 2.4898 2.5504 2.5432 2.4814 2.4812 2.5327 2.5319 2.4379 2.4951 2.3519 2.3523 2.4770 2.4767 2.3556 2.3557 2.4377 2.4981 2.5467 2.5470 2.3567 2.3558 3.0550 3.0543 2.3531 2.3605 3.0624 3.0601 3.0555 3.0555 2.5469 2.5472 3.0645 3.0619 3.0526 3.0526 2.5294 2.4902 3.0548 3.0542 2.4904 2.4884 3.0627 3.0603 2.4772 2.4793 2.4858 2.4882 3.0549 3.0549 3.0637 3.0613 2.9886 2.9886 3.0522 3.0522 2.3719 2.3848 2.3609 2.3531 3.0564 3.0564 2.4848 2.4872 2.4958 2.4382 0.6109 0.6097 2.4871 2.4847 2.4795 2.4797 2.4785 2.4750 2.5018 2.4580 2.4794 2.4773 2.4898 2.4899 2.5359 2.4912 2.3514 2.3511 2.3827 2.3698 2.4793 2.4808 2.4883 2.4858 2.4700 2.4703 2.4978 2.4373 3.0541 3.0548 3.0521 3.0521 3.0611 3.0635 3.0549 3.0549 3.0601 3.0625 2.5166 2.4854 2.5319 2.5328 2.3927 2.3928 2.5431 2.5503 2.4701 2.4704 2.4752 2.4787 2.9881 2.9882 2.5472 2.5469 2.3559 2.3567 -0.1785 -0.1761 2.3564 2.3563 2.3510 2.3514 2.5470 2.5467 2.4773 2.4776 2.4645 2.4648 2.4708 2.4705 2.3563 2.3564 2.3563 2.3555 2.3846 2.3718 2.3557 2.3556 2.3556 2.3564 2.4855 2.4833 2.4823 2.4783 2.4884 2.4904 2.4794 2.4770 2.3524 2.3520 2.4901 2.5300 2.4701 2.4698 2.4889 2.4909 2.4784 2.4798 2.3924 2.3923 2.4885 2.4864 0.0497 0.0497</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="218">1.6471 1.6586 1.6519 1.6518 1.6251 1.6474 1.6534 1.6531 1.6526 1.6731 0.0186 0.0185 0.0159 0.0162 1.6136 1.6157 0.0000 0.0000 1.5787 3.3328 0.0185 0.0186 0.4164 0.4165 0.0145 0.0145 0.0158 0.0157 0.0155 0.0154 0.0163 0.0163 0.0159 0.0162 0.0149 0.0150 0.0183 0.0182 0.0150 0.0151 0.0160 0.0160 0.0145 0.0148 0.0125 0.0170 0.0153 0.0153 0.0149 0.0150 0.0190 0.0199 0.0179 0.0179 0.0194 0.0195 0.0145 0.0179 0.0187 0.0187 0.0140 0.0140 0.0185 0.0185 0.0143 0.0178 0.0200 0.0200 0.0185 0.0185 1.6589 1.6474 0.0186 0.0185 1.6733 1.6527 1.6532 1.6535 0.0199 0.0199 1.6464 1.6239 1.6518 1.6520 0.0171 0.0127 1.6591 1.6475 0.0145 0.0149 1.6742 1.6521 0.0159 0.0160 0.0151 0.0152 1.6537 1.6538 1.6458 1.6236 0.0307 0.0307 1.6520 1.6523 0.0184 0.0182 0.0185 0.0186 1.6147 1.6127 0.0144 0.0143 0.0179 0.0145 0.4164 0.4163 0.0143 0.0144 0.0163 0.0163 0.0157 0.0158 0.0157 0.0158 0.0160 0.0159 0.0150 0.0149 0.0170 0.0125 0.0187 0.0187 0.0182 0.0183 0.0162 0.0159 0.0151 0.0151 0.0143 0.0143 0.0178 0.0143 1.6476 1.6593 1.6523 1.6520 1.6229 1.6453 1.6538 1.6536 1.6521 1.6742 0.0150 0.0149 0.0195 0.0194 0.0160 0.0160 0.0199 0.0190 0.0153 0.0153 0.0157 0.0157 0.0318 0.0318 0.0199 0.0199 0.0185 0.0185 3.3330 1.5787 0.0184 0.0184 0.0187 0.0187 0.0200 0.0200 0.0140 0.0139 0.0153 0.0153 0.0142 0.0143 0.0185 0.0185 0.0185 0.0186 0.0182 0.0183 0.0185 0.0185 0.0185 0.0185 0.0145 0.0145 0.0154 0.0155 0.0149 0.0145 0.0160 0.0160 0.0187 0.0187 0.0127 0.0171 0.0153 0.0153 0.0148 0.0145 0.0162 0.0160 0.0160 0.0160 0.0151 0.0150 0.0000 0.0000</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="218">0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0020 0.0020 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0019 0.0019 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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 0.0021 0.0021 0.0021 0.0021 0.0000 0.0000 0.0021 0.0021 0.0000 0.0000 0.0020 0.0020 0.0000 0.0000 0.0000 0.0000 0.0020 0.0020 0.0021 0.0020 0.0034 0.0035 0.0021 0.0021 0.0000 0.0000 0.0000 0.0000 0.0019 0.0019 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 0.0021 0.0021 0.0021 0.0021 0.0021 0.0020 0.0020 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 0.0036 0.0036 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="sfo.population">
                  <module cmlx:templateRef="molecular.orbitals">
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.569</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">101</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.27 7.38 6.67 5.71 5.41 4.79 4.69 4.58 4.56 4.53 3.62 3.50 3.27 3.18 2.95 2.75 2.52 2.46 2.37 2.26</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">70 84 64 83 76 63 101 94 69 60 98 93 68 99 91 61 59 72 62 92</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">-24.563</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">102</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.67 7.59 7.07 6.26 5.80 4.93 4.67 4.66 4.65 4.59 3.47 3.42 3.19 3.04 2.84 2.68 2.46 2.23 2.11 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S 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">85 37 38 44 97 53 34 54 33 29 35 52 24 30 26 77 57 28 31 27</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">-24.257</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">103</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">19.55 9.75 9.35 5.67 5.60 5.05 4.95 4.49 4.27 3.92 3.91 3.82 3.50 2.43 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -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">70 83 84 68 69 93 99 64 62 98 72 101 76 60 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.251</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">104</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.57 10.15 8.34 7.06 6.36 5.40 4.95 4.43 4.37 3.75 3.53 3.42 3.29 3.27 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">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">85 44 37 54 24 52 30 33 38 35 27 31 29 97 57</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">-24.219</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">105</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.81 11.72 9.47 9.27 8.02 7.53 6.70 6.33 5.74 3.41 2.37 1.85 1.68 1.30 1.27 1.19 1.17 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 P:y S P:z</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 2.224 -24.020 2.224</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 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">101 98 69 93 63 68 99 94 91 59 78 84 82 61 76 107 58 107</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 P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">106</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">12.19 11.87 9.49 9.27 7.98 7.42 7.20 6.55 5.42 3.31 2.30 1.77 1.63 1.44 1.38 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 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 S P:y 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 2.224 -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 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">33 35 54 52 53 30 24 34 26 57 50 47 37 106 97 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">107</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">13.10 9.68 8.08 7.53 6.57 6.18 4.64 4.09 3.97 3.46 3.42 3.26 3.15 3.04 2.21 1.91 1.71 1.43 1.33 1.27 1.18</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 2 1 2</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 P:y S P:z</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 2.224 -24.020 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">64 60 84 72 76 94 59 92 91 69 73 63 61 99 65 51 82 101 107 68 107</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 P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.173</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">108</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">18.49 10.82 10.06 9.48 7.57 6.53 3.51 3.41 3.20 3.17 2.59 2.33 1.92 1.67 1.59 1.37 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 2 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 P:x 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 2.224 -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 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">38 29 37 34 97 53 54 41 57 26 28 31 33 77 106 47 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.154</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">109</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">14.34 10.38 9.34 8.22 7.49 6.11 6.02 5.74 5.60 2.76 2.12 1.97 1.96 1.57 1.34</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">72 62 93 98 64 63 94 68 99 51 60 65 61 84 101</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">-24.132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.75 10.16 9.53 8.07 7.86 7.81 3.71 3.42 3.25 2.82 2.63 2.41 2.26 2.20 1.42</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">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">31 27 52 30 24 35 77 96 53 34 36 38 57 28 26</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">-24.061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">111</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">11.83 11.20 9.08 7.88 7.59 6.85 6.30 5.11 4.25 4.03 2.77 1.79 1.50 1.45 1.39 1.34 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S 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">83 76 61 91 70 92 84 51 58 59 94 62 60 68 17 99 69</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">-24.053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">112</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">14.49 13.59 8.93 8.21 8.12 7.40 7.01 5.26 2.70 2.08 2.04 1.69 1.54 1.35 1.22 1.05 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">S S S S S S S S S S S S S S D:xz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">44 97 85 77 28 37 26 57 96 42 34 53 24 36 6 30 6</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">113</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.51 7.86 7.63 7.33 6.49 6.09 5.74 5.58 5.10 4.75 3.92 3.91 3.45 3.09 2.56 2.50 1.74 1.42 1.42</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 -5.054 -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">60 71 65 101 62 69 40 59 64 63 92 58 51 76 83 105 94 72 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">114</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">10.93 8.37 7.47 6.63 6.54 5.20 5.12 4.99 4.11 3.95 3.85 3.69 2.73 2.45 2.17 2.07 1.66 1.56 1.52 1.47 1.32 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S 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 -5.054 -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">29 27 33 38 54 46 36 40 57 96 42 53 31 28 34 104 52 26 97 35 39 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 Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">115</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">73.91 1.96 1.91 1.79 1.71 1.30 1.27 1.23 1.18 1.03</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 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 -5.054 -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 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">40 29 72 31 60 62 27 105 38 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-23.851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">116</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">13.80 12.96 9.19 8.98 7.04 6.69 6.37 6.30 3.02 2.73 2.26 2.21 1.94 1.64 1.39 1.25 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 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 D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">99 93 68 98 69 94 101 63 51 58 76 84 70 83 71 65 12 61 7 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">14.30 13.38 11.11 10.82 7.37 7.13 6.92 6.72 1.70 1.59 1.39 1.31 1.30 1.14 1.12 1.10 1.08 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 D:x2-y2 S S D:z2 D:x2-y2 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 -4.492 -24.020 -24.020 -4.492 -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 0.80 2.00 2.00 0.80 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">30 52 24 35 54 33 34 53 96 42 97 18 37 85 1 1 46 44 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">118</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">15.56 10.34 8.81 8.62 7.87 6.06 4.64 4.55 3.92 3.54 2.43 2.20 1.91 1.69 1.67 1.42 1.40 1.34 1.22 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S D:x2-y2 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 -4.492 -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 0.80 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">61 59 51 91 92 84 68 71 83 101 76 70 15 69 65 93 94 63 11 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">119</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.30 9.28 6.72 6.56 6.36 5.53 4.29 4.22 4.20 3.98 3.91 3.52 3.32 3.30 3.20 2.82 1.61 1.51 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S 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 -5.054 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">65 58 98 51 60 91 92 72 68 64 70 40 71 99 62 76 105 63 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.787</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">14.25 11.56 10.52 10.10 5.86 4.41 4.15 4.12 3.92 2.89 2.65 2.23 2.10 2.05 1.88 1.65 1.46 1.43 1.30 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">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">77 26 28 57 37 96 97 85 44 36 24 33 46 42 53 34 35 54 30 52</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">-23.753</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">10.91 7.82 7.47 6.75 5.43 5.29 5.05 5.01 4.06 3.89 3.80 3.78 3.66 3.18 2.60 1.95 1.85 1.49 1.33 1.27 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">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 -5.054</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">96 42 36 29 40 24 35 26 46 38 30 77 85 28 31 52 37 27 57 97 104</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.684</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="15">12.96 11.02 9.90 8.91 8.11 6.68 6.46 4.68 4.36 3.57 3.33 2.30 2.15 2.04 1.33</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">65 76 70 91 92 58 69 72 63 64 98 60 99 62 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.679</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">14.91 12.93 11.44 7.10 5.64 5.53 5.32 4.94 4.74 4.63 3.03 2.98 1.35 1.16 1.13 1.13 1.07 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S D:xz S D:yz S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">83 71 59 51 84 61 93 94 64 101 72 62 13 76 9 92 68 60 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O 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">-23.664</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">10.17 9.88 7.55 7.00 7.00 6.63 6.56 5.66 3.89 3.62 3.46 3.04 2.92 2.85 2.61 2.09 1.72 1.63 1.17 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">28 26 38 31 97 85 57 36 54 27 29 35 42 77 52 53 30 44 24 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.654</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="17">15.67 9.69 8.11 6.65 6.04 5.82 5.57 5.41 5.11 5.07 4.16 3.55 3.32 2.10 1.37 1.26 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">44 46 57 36 97 37 34 33 96 85 77 53 54 52 42 38 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.528</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="20">11.00 10.76 9.27 7.08 5.85 5.67 5.46 5.18 5.06 4.68 4.35 3.29 3.12 2.08 2.07 1.77 1.74 1.28 1.17 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">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">94 84 93 70 51 99 98 63 69 58 68 76 101 65 83 71 66 88 95 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">-23.514</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="20">12.05 9.78 8.55 7.50 7.15 5.89 5.55 5.17 4.62 4.46 3.83 3.33 3.12 2.09 1.79 1.71 1.41 1.32 1.26 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">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">34 52 37 53 35 30 54 85 24 96 33 97 42 36 44 81 46 43 55 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.499</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="17">22.90 12.25 11.04 10.68 6.55 4.42 3.33 3.23 2.97 2.79 2.73 1.72 1.56 1.55 1.53 1.19 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">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">62 64 60 72 63 94 76 65 98 51 99 93 90 84 79 69 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.475</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="17">9.07 8.41 8.15 7.21 7.20 6.71 6.52 6.46 5.53 5.07 4.57 3.41 3.40 2.98 2.67 2.17 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">83 58 76 72 71 70 60 84 65 68 101 98 99 63 69 51 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.470</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="16">22.46 12.10 9.75 8.21 7.49 5.90 4.20 4.05 3.59 2.82 2.01 1.71 1.53 1.46 1.30 1.28</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">27 38 31 29 53 34 96 36 97 37 35 44 87 48 30 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.449</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="19">10.10 9.92 7.08 6.91 6.76 6.72 6.08 5.43 4.69 4.53 3.91 3.55 3.46 3.22 2.03 1.96 1.59 1.48 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">29 31 42 44 37 97 85 46 33 24 30 36 54 35 53 26 96 57 32</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">-23.447</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="12">12.09 10.54 8.81 8.44 8.10 7.29 7.21 6.89 6.47 5.29 3.98 2.97</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">68 101 99 69 63 98 94 93 71 58 51 65</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">-23.425</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="12">12.79 11.24 10.08 9.14 7.20 6.72 6.66 6.35 5.89 4.71 4.09 3.95</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">24 33 30 54 53 35 52 46 34 42 96 36</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">-23.345</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="15">19.61 16.60 11.17 10.25 7.74 6.58 4.35 3.04 3.03 1.93 1.80 1.46 1.40 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">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 -5.054 -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">61 91 92 59 58 51 71 66 65 105 64 62 95 76 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.318</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="20">10.67 10.51 9.82 8.58 7.40 7.11 6.80 5.83 3.27 3.24 3.19 3.14 2.72 2.66 2.57 1.62 1.52 1.34 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">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">84 70 99 93 69 58 51 94 76 83 62 72 65 101 71 60 64 63 98 68</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">-23.316</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="14">17.61 12.68 10.58 9.18 8.45 8.35 4.91 4.84 4.51 2.62 2.16 2.05 1.44 1.26</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 -5.054 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">77 26 28 96 42 57 81 46 36 38 43 104 27 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-23.296</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">137</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">12.39 11.61 9.39 8.28 7.87 7.69 6.76 5.82 5.59 5.52 3.95 3.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">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">72 62 83 68 76 98 71 65 60 64 63 101 99</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">-23.296</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="19">12.58 11.95 7.02 6.85 6.12 5.71 5.25 5.19 4.92 4.67 3.00 2.63 2.29 2.10 2.09 1.60 1.19 1.17 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">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">37 85 30 52 42 54 97 34 96 44 36 46 27 33 31 35 53 24 29</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">-23.269</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">13.40 13.40 10.60 9.33 6.45 5.76 5.70 5.13 5.00 4.13 3.96 2.20 1.61 1.39 1.37</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">27 31 44 97 24 35 46 38 29 36 53 33 81 30 85</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">-23.231</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">140</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">58.30 11.43 4.03 3.21 2.81 2.14 1.78 1.39 1.38 1.12</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:x2-y2 S S S S S 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 -24.020 -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 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">66 88 59 14 94 71 70 64 92 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-23.225</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="10">64.91 5.35 4.03 2.63 2.41 2.32 1.97 1.91 1.75 1.05</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 D:x2-y2 S 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 -4.492 -24.020 -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 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">81 43 55 21 34 57 46 21 28 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.213</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">142</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">56.08 5.18 4.04 3.97 2.90 2.73 2.59 2.53 2.26 2.11 1.39</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S S S S D:xy 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 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">95 67 91 66 88 64 58 63 83 9 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-23.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">143</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">64.60 4.54 3.17 2.71 2.61 2.47 2.41 2.14 1.94 1.63 1.24 1.06 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 D:z2 S S S S S D:yz S S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -43.144 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">43 81 4 26 88 38 42 32 4 53 77 4 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O W O O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.207</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="9">65.00 10.23 5.75 3.81 3.76 1.19 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S D:z2 S S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">88 66 95 15 43 90 61 79 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">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">-23.192</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="8">62.04 11.58 4.80 2.97 2.11 1.79 1.67 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S D:xy S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-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="8">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="8">55 67 81 20 77 95 87 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">146</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="12">57.62 11.41 2.36 2.04 1.93 1.45 1.45 1.42 1.39 1.23 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S D:yz S D:x2-y2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -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="12">2.00 2.00 0.80 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="12">67 55 10 95 10 90 72 71 88 79 59 94</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O W O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.180</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="18">10.04 9.84 9.71 8.74 8.16 6.81 5.15 4.96 4.06 2.99 2.95 2.79 2.68 2.60 2.54 2.22 1.71 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">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">61 59 67 51 66 71 101 94 98 60 99 76 64 63 62 80 88 93</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">-23.174</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="22">15.18 11.01 6.79 6.58 6.08 5.82 4.63 4.21 4.18 3.92 2.92 2.90 2.64 2.32 2.07 1.92 1.91 1.58 1.39 1.32 1.16 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S S S S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">95 92 91 89 58 65 80 69 63 59 84 93 25 68 64 94 60 62 71 76 98 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.165</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">149</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">48.63 8.29 6.07 5.16 4.15 3.79 3.37 2.52 1.91 1.27 1.14 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S D:x2-y2 D:xz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">32 87 45 48 28 43 55 86 3 3 29 42 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.160</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="24">8.98 7.25 7.02 6.40 5.97 5.62 5.51 5.04 4.39 4.16 4.12 3.09 2.82 2.79 2.76 2.49 2.07 2.06 2.02 1.95 1.74 1.21 1.16 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">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">34 53 38 35 96 27 52 29 46 33 77 23 49 55 57 81 31 54 30 32 42 43 86 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.155</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="17">21.33 15.26 14.45 4.44 4.24 2.98 2.95 2.80 2.80 2.68 2.65 2.11 2.04 1.76 1.59 1.58 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">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">45 32 86 57 36 46 48 28 49 26 42 97 43 54 33 37 96</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">-23.150</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="6">64.19 9.04 5.81 3.11 2.47 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">87 90 32 18 48 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.150</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="8">69.57 7.65 3.13 2.25 2.15 1.67 1.47 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 D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-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="8">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="8">90 87 12 12 89 48 67 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.147</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="8">53.41 20.76 7.79 2.72 1.43 1.35 1.22 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S D:yz S D:x2-y2 S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 0.80 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">48 79 32 1 86 1 90 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.147</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="5">60.82 18.01 3.25 3.19 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">79 48 7 32 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.135</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="13">65.72 4.74 3.51 3.47 3.27 2.24 1.93 1.70 1.39 1.32 1.23 1.16 1.15</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">89 11 90 61 80 51 92 91 65 70 59 63 11</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">-23.128</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="14">55.93 5.44 3.96 3.78 3.46 2.84 2.43 2.24 1.78 1.68 1.44 1.20 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:xy 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 -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="14">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">45 86 77 26 96 2 49 87 36 57 28 46 23 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-23.120</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="8">45.08 29.75 6.34 2.51 2.10 1.53 1.52 1.52</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S D:x2-y2 S S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-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="8">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="8">80 25 56 16 89 59 8 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.117</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="11">34.17 28.14 10.63 4.21 3.29 1.83 1.67 1.40 1.33 1.18 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">S S S S S D:xz D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">25 80 56 89 92 8 16 65 93 83 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-23.117</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="11">55.61 9.52 5.75 4.43 4.09 3.31 2.81 1.81 1.55 1.39 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S D:xz S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">86 49 57 23 28 19 36 46 48 26 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.103</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="5">68.05 16.24 3.71 3.12 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S S D:xy S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">56 25 13 62 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.102</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">46.21 15.15 4.78 3.61 3.58 3.10 3.00 2.70 2.45 1.79 1.44 1.17 1.08 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">S S S S S S S D:x2-y2 S S S S D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">49 23 28 36 77 86 96 5 46 52 42 85 22 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.101</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">10.51 9.22 8.78 7.91 7.74 7.68 7.18 6.58 6.40 6.29 6.18 6.15 1.26</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">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">60 101 69 72 99 68 98 94 64 63 93 62 58</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">-23.090</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="14">33.00 10.46 8.69 7.45 6.78 6.41 6.10 5.61 2.23 1.76 1.34 1.12 1.05 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 D:z2 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 -4.492 -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 0.80 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">23 49 29 33 54 31 30 24 22 52 53 35 46 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-23.087</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="15">28.16 11.75 8.75 5.64 4.44 4.19 4.16 3.97 3.87 3.77 3.57 3.54 3.53 3.34 1.65</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">23 27 49 35 34 31 52 29 38 53 33 24 54 30 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.066</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="18">13.76 13.12 10.61 9.67 6.43 6.20 5.80 4.49 4.25 3.25 3.15 2.31 2.28 1.74 1.67 1.65 1.60 1.29</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">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 91 61 51 84 60 70 69 101 89 68 25 99 72 94 64 98 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.034</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="23">20.38 12.44 11.79 9.17 4.81 4.13 3.02 2.98 2.81 2.33 2.18 2.04 1.69 1.56 1.51 1.49 1.39 1.38 1.34 1.31 1.12 1.09 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">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">42 26 96 77 37 85 49 28 29 33 36 54 35 34 24 45 30 38 44 53 31 46 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">-23.024</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="9">18.78 15.56 15.19 14.12 9.65 7.96 1.86 1.66 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">92 65 71 59 83 76 58 51 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-22.984</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="11">22.24 17.27 13.23 13.19 5.72 5.47 5.30 3.37 2.67 1.71 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">46 36 28 57 44 97 42 96 26 77 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-15.366</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="24">11.03 8.72 7.34 6.45 6.17 5.13 3.57 3.50 3.50 3.41 3.08 2.79 2.73 2.53 2.45 2.24 2.10 2.04 1.24 1.21 1.21 1.21 1.18 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 2 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">P:x P:y S P:z S P:z S S S S P:y P:x P:y S P:z P:x S P:z S S S P:y S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               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 -14.028 -9.089 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -9.089 -24.020 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">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 2.00 1.33 1.33 0.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 82 107 78 107 73 73 82 78 75 50 41 73 106 47 78 106 39 41 47 50 39 39 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O P O P O O O O O O O O P O O P O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-15.349</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="23">9.22 8.25 7.35 7.26 6.26 5.86 3.71 3.59 3.55 3.54 3.50 3.45 3.05 2.46 2.26 2.15 2.06 1.79 1.77 1.22 1.22 1.21 1.18</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 2 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="23">P:y P:x P:z S S P:z P:x S S S P:y S P:y S P:z S P:x P:z P:x S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -14.028 3.429 -9.089 -9.089 -24.020 -24.020 -24.020 -9.089 -24.020 -9.089 -14.028 -9.089 3.429 -9.089 -9.089 -9.089 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 2.00 0.00 1.33 1.33 2.00 2.00 2.00 1.33 2.00 1.33 2.00 1.33 0.00 1.33 1.33 1.33 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">50 41 47 106 106 39 75 41 47 50 39 39 82 107 78 107 47 73 39 73 82 78 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O P P O O O O O O O O P O P O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">172</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">24.09 19.16 5.86 5.25 4.97 4.36 3.09 2.30 2.16 1.48 1.15 1.11 1.09 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:y P:z S S D:xz D:xz D:x2-y2 P:z P:x P:y S S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.493 -6.493 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -24.020 2.471 -24.020 2.471 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.00 1.00 0.80 0.80 0.80 1.33 1.33 1.33 2.00 0.00 2.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">74 100 100 102 103 17 6 6 74 75 74 74 102 100 103 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O H H W W W O O O O H O H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.331</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">173</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">24.52 23.22 7.07 5.99 5.32 4.32 3.66 2.68 2.20 1.27 1.27 1.19 1.13 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 2 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:y P:z S S D:xz D:xz D:x2-y2 P:z S S P:y S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.493 -6.493 -4.492 -4.492 -4.492 -9.089 -24.020 2.471 -9.089 -24.020 2.471 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.00 1.00 0.80 0.80 0.80 1.33 2.00 0.00 1.33 2.00 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">74 100 100 103 102 17 6 6 74 100 103 74 74 102 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O H H W W W O O H O O H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.237</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="22">18.66 4.62 4.39 4.00 3.71 3.48 3.01 2.12 2.09 2.09 2.05 2.04 1.94 1.89 1.64 1.55 1.18 1.12 1.10 1.09 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 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="22">P:x P:x P:x P:y P:z P:z P:x P:y P:y P:z P:x P:x P:x P:y P:x D:yz S P:z P:z P:x D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -5.485 -9.089 -9.089 -9.089 2.224 -9.089 -9.089 -9.089 -9.089 -13.534 -13.534 -9.089 -9.089 -6.681 -24.020 -13.534 -9.089 -9.089 -6.681 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.00 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 2.00 2.00 1.33 1.33 1.00 2.00 2.00 1.33 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">75 74 107 82 39 78 107 39 100 73 40 109 108 73 39 105 75 108 50 82 105 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O P O O O P O O O O Cs Cs O O Tc O Cs O O Tc P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.148</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="24">11.73 10.07 7.67 3.96 3.32 3.02 2.80 2.69 2.07 2.04 1.97 1.96 1.89 1.67 1.60 1.58 1.57 1.43 1.35 1.29 1.19 1.13 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 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:x P:x P:z P:x P:z P:y P:x P:y P:z P:y P:y S P:x P:z P:y P:z P:y P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -13.534 -5.485 -9.089 2.224 -9.089 -9.089 -24.020 2.224 -9.089 -9.089 -9.089 -5.485 -9.089 -13.534 -9.089 -5.485</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 2.00 1.00 1.33 0.00 1.33 1.33 2.00 0.00 1.33 1.33 1.33 1.00 1.33 2.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 75 39 41 47 50 39 106 108 107 47 106 82 41 39 107 73 73 78 106 50 109 100 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O P Cs P O P O O O P O O O P O Cs O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.126</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="19">10.03 9.73 8.37 5.58 5.21 4.45 2.36 2.29 2.01 1.79 1.71 1.65 1.59 1.56 1.49 1.39 1.22 1.10 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 2 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:z P:y P:z P:z P:x P:x P:y P:x P:z P:y P:y P:y P:y P:y P:z P:z S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -13.534 -9.089 -9.089 -9.089 -5.485 -9.089 -5.485 -13.534 -9.089 -5.485 2.224 -9.089 -9.089 2.224 -24.020 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.00 1.33 1.00 2.00 1.33 1.00 0.00 1.33 1.33 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">82 78 50 108 47 78 47 107 82 107 109 73 106 107 75 75 107 78 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O Cs O O O P O P Cs O P P O O P O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.119</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="17">11.71 9.33 8.15 5.91 5.83 4.21 2.68 2.42 2.29 2.26 1.80 1.65 1.57 1.55 1.53 1.42 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:x P:z P:z P:z P:x P:y P:y P:x P:z P:y P:y P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -13.534 -9.089 -9.089 -13.534 -9.089 -5.485 -5.485 -9.089 -9.089 2.224 2.224 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 2.00 1.33 1.33 2.00 1.33 1.00 1.00 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">50 82 108 78 47 108 47 106 107 78 39 106 107 82 75 73 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O Cs O O Cs O P P O O P P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.114</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">31.94 13.54 6.10 5.24 4.11 2.10 1.57 1.41 1.41 1.38 1.29 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">P:x P:z P:z 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="12"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -13.534 -13.534 -13.534 -9.089 -5.485 -13.534 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 1.33 2.00 2.00 2.00 1.33 1.00 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">108 108 47 109 108 109 47 106 109 50 39 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">Cs Cs O Cs Cs Cs O P Cs O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.099</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="7">45.04 16.64 8.78 6.92 4.48 1.25 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">P:x P:z P:x P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="7"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -9.089 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">2.00 2.00 2.00 2.00 2.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">109 109 108 109 108 65 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">Cs Cs Cs Cs Cs O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.063</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="10">30.03 19.92 9.82 5.59 2.73 2.14 1.77 1.48 1.42 1.31</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:y P:z P:y P:z P:x P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089 -13.534 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 1.33 2.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">108 108 109 109 41 108 50 39 73 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs O Cs O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.031</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">29.74 24.21 23.32 7.65 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">P:y P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 2.00 2.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">108 109 109 108 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">Cs Cs Cs Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.017</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="18">14.33 13.58 11.20 4.63 3.79 3.66 2.79 2.32 2.22 2.00 1.74 1.66 1.46 1.42 1.23 1.14 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">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="18">P:z P:y P:x P:z P:x P:z P:y P:x P:y P:x P:x P:z P:y P:z P:z P:y S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -9.089 -13.534 -13.534 -9.089 -5.485 -9.089 -13.534 2.224 -9.089 -9.089 -9.089 -5.485 -9.089 -24.020 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 1.33 1.33 2.00 2.00 1.33 1.00 1.33 2.00 0.00 1.33 1.33 1.33 1.00 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">108 108 41 73 109 109 73 106 50 108 106 47 78 82 107 39 41 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs Cs O O Cs Cs O P O Cs P O O O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.015</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="9">35.38 17.48 14.48 3.70 3.08 2.95 1.69 1.34 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">P:x P:z P:y P:x P:z P:x P:y P:z 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 -9.089 -13.534 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 2.00 1.33 1.33 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">108 108 108 109 73 41 109 47 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">Cs Cs Cs Cs O O Cs O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">24.37 7.53 6.73 5.29 5.20 3.45 2.63 2.18 2.01 1.77 1.61 1.57 1.26 1.23 1.21 1.14 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 2 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:y P:y P:z P:y P:z P:y P:x P:z P:x P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-13.534 -9.089 -13.534 -9.089 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -5.485 2.224 -13.534 -13.534 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 1.33 2.00 1.33 2.00 2.00 1.33 1.33 1.33 1.33 1.33 1.00 1.00 0.00 2.00 2.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">109 41 108 73 109 109 73 47 78 82 50 106 107 106 108 108 82 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs O Cs O Cs Cs O O O O O P P P Cs Cs O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.994</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="3">46.24 26.06 17.57</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="3">1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="3">P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="3"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="3">2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="3">109 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="3">Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.867</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="25">7.21 6.73 6.22 5.39 4.52 4.37 3.80 3.43 3.38 3.04 2.70 2.50 2.44 2.34 2.02 1.88 1.76 1.66 1.58 1.57 1.34 1.22 1.14 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:x P:x P:z P:x P:y P:y P:y D:x2-y2 D:yz D:x2-y2 D:xz P:z D:x2-y2 D:z2 D:yz D:xy P:z P:z P:z D:xy P:y 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 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">93 64 94 98 64 63 62 98 63 12 9 7 13 62 14 12 14 8 93 94 69 7 101 7 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O W W W W O W W 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">-12.863</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">187</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.58 8.04 7.73 7.43 6.23 5.28 3.24 2.77 2.75 2.71 2.37 2.27 2.15 1.80 1.74 1.60 1.42 1.39 1.35 1.20 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:z P:y P:y P:z P:y D:x2-y2 D:x2-y2 P:z D:yz D:z2 D:z2 D:yz D:yz D:x2-y2 D:xz D:yz D:xz D:z2 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 -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 -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 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="22">35 52 53 34 38 38 27 4 22 27 18 1 5 1 4 18 21 21 5 21 18 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W W O 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">-12.826</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">188</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.02 7.07 5.81 5.28 4.24 3.92 2.70 2.46 2.07 1.94 1.87 1.72 1.69 1.33 1.32 1.30 1.23 1.19 1.18 1.13 1.10 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:y P:z P:y P:y P:y P:z P:z P:x D:x2-y2 D:z2 D:yz P:x P:y P:x P:y D:x2-y2 P:y D:yz P:y D:yz 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 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.80 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">69 101 99 68 72 60 72 60 33 11 16 7 24 64 54 54 15 31 12 29 10 94 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O W W W O O O O W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.819</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="25">6.45 5.03 4.11 4.06 3.56 3.51 3.03 2.95 2.90 2.68 2.65 2.32 2.20 1.84 1.75 1.70 1.70 1.32 1.31 1.26 1.16 1.13 1.13 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:y P:y P:y P:z P:z P:x P:y P:z P:y D:xz P:z P:z P:y D:x2-y2 P:y P:y D:x2-y2 D:xy P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</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 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">33 24 54 54 29 31 31 29 30 30 69 101 2 99 33 68 1 60 72 3 19 24 34 53 38</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 W O O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.771</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="21">12.61 8.86 5.92 5.54 3.89 3.03 2.55 2.17 2.16 1.99 1.95 1.95 1.83 1.79 1.77 1.74 1.57 1.44 1.34 1.21 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 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x D:z2 P:y P:x P:x P:x P:z D:x2-y2 D:xz D:x2-y2 P:x P:z P:x P:y P:z P:z D:z2 P:x D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 4.055 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">70 84 17 83 91 76 61 58 17 17 11 51 91 59 76 84 61 17 92 14 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W O O O O O W W W O O O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.755</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="21">10.01 7.08 5.76 5.68 5.17 4.06 3.73 3.17 2.76 2.53 2.21 1.97 1.80 1.79 1.55 1.54 1.29 1.16 1.13 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">P:y P:x P:x P:z P:y D:x2-y2 P:x P:x D:xz D:xy D:z2 P:x P:x P:z D:yz P:y P:z P:z D:x2-y2 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 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -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 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">37 85 44 97 85 6 26 77 6 6 6 57 28 26 2 96 44 85 21 77 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O W O O W W W O O O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.667</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">9.13 6.66 5.32 5.18 4.50 3.65 3.03 2.80 2.64 2.55 2.16 2.13 1.93 1.92 1.90 1.74 1.54 1.52 1.33 1.30 1.25 1.23 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:x P:z P:x P:x P:y P:x P:y P:x D:x2-y2 D:x2-y2 P:z D:yz P:z P:x P:z P:z P:x P:z D:x2-y2 P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">83 76 70 59 84 76 92 71 91 16 17 59 9 83 65 92 58 61 91 11 51 65 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O W W O W 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">-12.646</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">10.25 10.17 5.11 5.09 3.75 3.26 2.76 2.31 2.18 2.03 2.03 1.98 1.88 1.80 1.57 1.48 1.47 1.46 1.45 1.20 1.12 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:x P:y P:x P:x P:x P:z P:y P:x P:z D:xz D:x2-y2 P:x D:xz P:z D:yz P:z P:z P:y 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 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">44 97 57 37 85 28 26 36 85 46 57 6 4 77 19 26 19 44 28 96 22 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O W W O W O W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.169</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">194</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.45 6.79 6.30 6.01 4.64 4.45 4.34 4.14 4.07 4.00 3.60 3.44 2.18 2.06 2.02 1.96 1.79 1.38 1.15 1.05 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:x P:z P:x P:y P:y P:x P:z D:z2 P:y D:x2-y2 P:x D:x2-y2 P:y D:xy D:yz P:z D:xy D:xz D:z2 D:yz 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 -9.089 -9.089 -4.492 -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 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">93 69 98 101 98 94 99 12 68 7 63 12 63 7 7 93 8 13 7 12 15 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W O W O W O 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">-12.165</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="21">9.81 8.49 6.62 5.38 4.46 4.27 4.18 3.89 3.22 2.93 2.76 2.67 2.66 2.52 2.12 1.67 1.63 1.32 1.23 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:x P:z P:y P:x P:x D:z2 D:x2-y2 D:x2-y2 P:y D:yz P:x D:xy P:y D:yz D:z2 D:x2-y2 D:xz 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 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="21">35 52 33 53 34 24 54 1 18 1 54 18 30 18 30 1 5 22 2 4 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W W W O 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">-12.140</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="25">8.21 6.06 5.19 4.65 4.51 3.82 3.41 2.81 2.78 2.77 2.48 2.07 1.79 1.64 1.59 1.52 1.46 1.35 1.32 1.29 1.27 1.23 1.18 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">P:y P:y P:z P:y P:x P:z P:x P:z D:xz D:yz P:z D:yz P:y D:x2-y2 P:z D:xy P:y D:x2-y2 P:x D:yz D:z2 D:x2-y2 P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">64 62 64 72 93 62 98 72 13 9 99 14 60 14 69 8 98 8 94 10 16 11 63 60 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O W W O W O W O W O W O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.132</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="24">7.32 6.08 5.45 4.76 4.48 4.29 3.89 3.48 3.22 2.31 2.06 1.94 1.89 1.83 1.61 1.51 1.47 1.32 1.30 1.23 1.21 1.16 1.12 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 P:z P:z P:y P:y D:x2-y2 P:z D:z2 D:yz D:xz D:yz D:x2-y2 P:y P:z P:y P:x P:x D:x2-y2 P:z P:y D:yz 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 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">38 38 27 35 27 52 31 22 31 5 4 5 21 4 34 53 29 24 30 3 29 54 3 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W O W W W W 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">-12.109</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="25">6.98 4.57 4.23 3.49 3.22 2.81 2.53 2.27 2.25 1.79 1.73 1.53 1.49 1.45 1.40 1.24 1.24 1.16 1.15 1.11 1.11 1.10 1.08 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:x P:y P:z P:y P:z P:z D:xz P:x P:x P:y P:x P:x D:yz P:z P:y P:y D:xz P:y P:z P:z D:yz 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 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 1.00 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">40 101 69 68 40 99 105 93 33 52 94 24 7 35 34 98 104 54 53 75 12 98 54 30 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O Tc O O O O O W O O O Tc 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">-12.069</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">8.69 5.97 5.89 5.87 4.32 3.50 3.23 3.07 2.99 2.96 2.71 2.17 1.77 1.68 1.57 1.52 1.23 1.18 1.16 1.15 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:y P:y P:z P:y D:x2-y2 D:x2-y2 P:y P:z P:x P:z P:z D:z2 P:y P:x D:xz D:yz D:xy 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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">72 60 72 101 64 60 68 15 11 62 64 98 69 62 16 98 51 10 15 10 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W W O O O O O W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.067</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="22">5.69 5.33 4.62 4.33 3.95 3.70 3.65 3.35 3.15 2.64 2.21 1.88 1.70 1.54 1.36 1.34 1.26 1.19 1.18 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:y P:x P:x P:z P:z P:y P:x P:x P:y P:x P:y P:x P:y P:z D:yz P:z D:yz P:y P:y 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 -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 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">69 35 52 33 93 53 99 34 24 94 54 54 30 30 101 33 1 93 18 68 72 1</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 W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.055</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">8.96 7.56 5.59 4.74 4.43 3.89 3.00 3.00 2.84 2.60 2.37 2.34 2.33 1.91 1.87 1.82 1.77 1.65 1.58 1.31 1.25 1.16 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:y P:z P:y P:x P:y P:z P:y P:x D:xz P:x D:yz P:z D:x2-y2 D:yz D:z2 D:x2-y2 P:x D:xy D:x2-y2 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 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">31 31 29 29 38 38 27 33 52 27 54 54 2 24 20 35 3 3 20 22 30 19 19 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O W O W O W W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.999</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="20">7.23 6.62 5.29 5.12 4.03 3.61 3.37 3.28 3.14 3.07 2.20 1.91 1.80 1.70 1.29 1.22 1.18 1.08 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:x P:z P:y P:z P:x P:z P:z P:y P:x D:xz D:x2-y2 P:z P:z D:z2 D:xz D:xy D:z2 P:y 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 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">91 59 70 83 58 92 91 59 71 61 8 16 92 61 17 11 13 14 91 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O W W O O W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.991</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="23">7.34 6.55 4.23 4.01 3.51 2.97 2.88 2.25 2.15 2.12 1.96 1.94 1.67 1.61 1.57 1.55 1.53 1.53 1.48 1.43 1.23 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:x P:x P:x P:z P:z P:x P:x P:y P:y D:xz P:z D:x2-y2 P:z P:z D:x2-y2 D:xy P:x P:z D:xz P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">26 57 28 77 44 26 57 46 85 85 37 19 28 5 77 44 4 2 42 97 22 42 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O W O W O O W W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.986</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="20">9.64 4.53 4.35 2.88 2.87 2.56 1.97 1.71 1.70 1.63 1.61 1.49 1.33 1.29 1.29 1.27 1.24 1.13 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 D:xz P:z P:z P:z P:z P:y P:y P:z P:x P:y D:xz P:x P:y P:y P:x D:x2-y2 P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               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 -6.681 -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="20">1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">40 105 40 70 58 69 101 83 99 33 71 104 93 52 40 51 104 24 35 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O Tc O O O O O O O O O Tc 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">-11.955</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="22">4.05 4.04 3.40 3.32 2.81 2.76 2.66 2.18 2.14 2.06 2.03 1.95 1.69 1.64 1.43 1.24 1.18 1.17 1.17 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:x P:x P:x P:x P:z P:z P:y P:x P:z P:x P:x P:z P:z D:x2-y2 P:x P:x P:z 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">91 59 57 26 92 61 59 70 83 44 91 28 77 57 92 16 46 85 58 51 61 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">206</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.55 4.22 4.17 3.91 3.27 2.26 2.12 2.03 2.00 1.91 1.84 1.77 1.71 1.58 1.36 1.32 1.25 1.23 1.18 1.16 1.14 1.13 1.12 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:x P:x P:x P:x P:x P:x P:x P:x D:xz P:y P:z P:x P:x P:z D:x2-y2 P:y P:z P:z P:z P:z P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">51 57 61 26 84 28 77 59 105 83 57 44 91 51 15 71 59 91 61 28 97 96 26 37 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O Tc O O O O O W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.938</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">7.04 5.35 4.87 4.61 4.15 3.39 3.19 3.16 2.98 2.83 2.54 2.31 2.19 2.13 1.94 1.72 1.32 1.28 1.27 1.26 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:z D:xy P:z P:y D:x2-y2 P:x P:y P:x D:z2 D:z2 P:x P:z D:x2-y2 P:x D:xz P:y P:z D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.00 1.33 1.33 1.33 1.00 0.80 1.33 1.33 0.80 1.33 1.00 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">65 51 65 58 105 70 71 105 76 76 92 105 17 84 51 10 40 105 83 92 16 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O Tc O O Tc O O O Tc W O O W O Tc O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.829</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="21">17.04 5.56 5.24 5.04 5.04 4.86 3.54 3.23 2.47 2.39 2.31 1.91 1.82 1.72 1.63 1.61 1.34 1.24 1.15 1.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:y D:z2 P:z D:x2-y2 P:x P:x P:x P:x D:yz D:x2-y2 D:x2-y2 P:y P:z P:z P:z P:x D:z2 D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">96 37 42 104 36 104 42 85 77 46 20 6 5 85 96 97 77 44 6 20 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O Tc O Tc O O O O W W W O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.793</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="24">8.04 3.75 3.73 3.69 3.43 3.29 3.06 2.80 2.75 2.55 2.49 2.07 1.85 1.80 1.77 1.70 1.36 1.34 1.32 1.31 1.14 1.13 1.11 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:x P:y P:x P:z P:y P:x P:x P:x D:xz P:x P:y S D:x2-y2 D:x2-y2 P:x P:z P:z P:z P:z D:z2 P:z 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 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -5.054 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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 1.00 1.33 1.33 2.00 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">36 76 65 65 97 71 46 51 44 104 84 83 105 17 10 40 58 46 51 83 104 70 3 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O Tc O O Tc W W O O O O O Tc O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">210</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.20 3.15 3.13 2.91 2.37 2.30 2.24 2.19 2.12 2.09 1.60 1.55 1.48 1.40 1.29 1.25 1.18 1.14 1.08 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">P:z P:x P:x P:y S P:z D:yz P:x P:z P:y P:x P:x P:z S P:z P:x P:x P:x P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 2.00 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">36 44 40 96 104 37 6 46 97 97 85 76 40 105 83 28 65 50 60 51 47 38 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O Tc O W O O O O O O Tc O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.679</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="32">2.90 2.83 2.70 2.64 2.52 2.51 2.15 2.08 2.03 1.95 1.86 1.79 1.78 1.77 1.68 1.61 1.59 1.48 1.47 1.47 1.46 1.46 1.43 1.32 1.32 1.30 1.22 1.13 1.12 1.10 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y D:yz P:y P:x P:x P:z P:z D:xy P:x P:x D:xz D:xy P:x D:z2 P:y P:y D:xz P:y P:x D:yz P:z P:z P:y D:z2 D:xy P:y P:z P:z P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -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 -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="32">1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">70 17 84 101 69 76 63 11 68 99 12 15 72 9 83 61 16 51 60 14 64 83 94 13 7 91 98 65 93 59 83 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O W O O O O O W O O W W O W O O W O O W O O O W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.651</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="33">4.23 4.06 3.05 2.87 2.58 2.31 2.23 2.06 2.02 1.89 1.83 1.80 1.79 1.75 1.62 1.61 1.52 1.37 1.32 1.31 1.24 1.21 1.20 1.17 1.15 1.14 1.12 1.07 1.06 1.05 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:z D:xy P:x P:x D:xy P:x P:y P:z P:x P:x P:z P:x D:xz P:z P:y P:y P:y P:z P:z D:xz D:xy D:z2 P:z P:z D:yz P:z P:x P:y D:xz P:x D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">44 85 4 34 38 6 53 57 26 52 35 54 37 21 36 97 28 33 33 77 1 22 20 24 30 3 97 27 96 18 40 6 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O O W O O O O O O O W O O O O O O W W W O O 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">-11.449</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="21">8.55 4.89 3.82 3.17 2.65 2.20 1.94 1.73 1.57 1.47 1.43 1.39 1.32 1.23 1.22 1.15 1.11 1.07 1.07 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:y P:y P:y P:z P:y P:y P:z D:x2-y2 P:z D:yz D:xy P:z D:x2-y2 P:x P:y P:z D:z2 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 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">75 75 78 82 73 78 93 98 82 12 73 7 13 93 8 82 99 98 105 90 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O W O W W O W O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.429</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="24">5.11 5.05 3.23 2.35 1.88 1.74 1.68 1.68 1.67 1.48 1.48 1.45 1.43 1.39 1.39 1.32 1.31 1.26 1.23 1.19 1.19 1.12 1.11 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:y P:z P:x P:x P:x P:x D:z2 P:z P:z P:y P:z P:z D:xz P:y P:x D:yz P:x P:z P:x P:x D:xy 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 10.371 -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 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.00 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">78 82 82 78 64 50 15 78 72 92 73 61 9 47 47 107 98 75 39 93 14 73 82 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O O O O W O O P 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">-11.424</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="22">4.51 4.38 4.18 3.71 3.71 3.51 1.99 1.67 1.53 1.50 1.47 1.44 1.43 1.43 1.30 1.29 1.28 1.23 1.08 1.08 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:z P:y P:y P:z P:z P:z D:yz D:x2-y2 P:y P:z D:yz P:y D:yz P:z P:y D:yz P:z P:y P:y 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 -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</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 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">50 39 39 41 47 41 52 47 18 19 35 24 1 50 22 33 30 5 87 48 54 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O W W O O W O W O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.418</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="25">7.45 4.17 3.04 2.41 2.32 1.96 1.90 1.88 1.67 1.64 1.44 1.35 1.33 1.28 1.26 1.22 1.19 1.16 1.11 1.10 1.09 1.09 1.07 1.07 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:z P:x P:x P:x P:y P:x P:y P:y P:x D:xz P:z P:y P:y D:z2 P:z P:z D:xy P:y D:yz P:x P:x P:x 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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 10.371 -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 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.00 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">47 50 50 82 31 78 47 50 77 78 20 82 39 35 4 28 38 3 38 106 41 64 33 21 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O W O O W O P O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.353</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="24">4.80 3.81 3.39 3.20 2.48 2.31 1.90 1.80 1.67 1.65 1.60 1.53 1.53 1.42 1.41 1.40 1.34 1.30 1.29 1.18 1.14 1.12 1.10 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:z P:x P:y P:x P:x P:z D:xz P:x P:y P:z D:z2 P:y P:y D:xy P:z P:x D:z2 P:y P:z 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 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">73 82 73 82 75 78 59 101 7 91 69 94 105 63 78 12 98 58 7 101 75 99 78 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W O O O Tc 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">-11.340</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="13">8.67 4.47 3.46 3.41 3.19 2.96 1.93 1.47 1.10 1.08 1.05 1.03 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">P:x P:z P:x P:z P:x P:y P:y P:x P:x D:xy P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">39 75 78 50 82 47 75 47 36 5 47 64 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.305</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="18">5.55 4.85 4.36 3.48 2.78 2.37 2.17 1.86 1.62 1.57 1.21 1.21 1.17 1.13 1.10 1.09 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:x P:z P:z P:z P:y P:y P:z P:z D:xz D:xy P:y P:z P:z P:y D:z2 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 -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="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">47 39 50 39 41 50 41 24 47 30 1 18 54 33 34 35 18 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O W W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.253</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="26">10.41 3.28 3.02 2.69 2.28 2.28 2.23 2.14 2.07 1.90 1.83 1.73 1.70 1.69 1.45 1.45 1.44 1.39 1.32 1.26 1.19 1.19 1.13 1.13 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:z P:y D:xy P:x D:xz P:y P:y P:y P:z P:x P:z P:x P:y P:x P:y P:z P:z P:x P:x P:y 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">73 84 82 78 16 63 11 75 83 65 75 51 91 75 76 94 59 70 74 78 83 69 62 89 65 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W O W O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.233</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="22">5.43 4.39 3.95 3.60 3.35 2.19 2.17 2.12 2.11 2.06 1.98 1.96 1.94 1.87 1.84 1.82 1.56 1.52 1.40 1.27 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:x P:z P:y P:z P:y P:x P:x P:x P:y P:z P:y P:y P:x P:z D:yz P:x P:y P:z D:yz 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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">41 41 50 36 96 34 26 37 39 47 53 44 39 85 97 39 2 54 37 57 4 27</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 O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.170</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">222</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">7.21 5.65 5.35 4.29 4.18 3.25 3.05 2.85 2.59 2.55 2.46 1.92 1.87 1.75 1.68 1.66 1.58 1.52 1.51 1.50 1.38 1.29 1.24 1.24 1.22 1.18 1.12 1.06 1.05 1.04 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:z D:yz P:y P:z P:y P:z D:z2 P:z P:y D:z2 D:yz D:yz P:z D:z2 D:yz P:x P:z P:z D:xy D:x2-y2 D:yz P:x P:x D:xz P:z P:y P:z P:y D:z2 P:x 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 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -6.681 -9.089 -4.492 -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 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.00 1.33 0.80 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 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">70 83 17 58 64 91 71 13 62 64 9 14 105 98 14 11 62 59 76 13 8 8 98 93 8 101 62 60 69 8 71 84 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O W O O O O W O O W W Tc O W W O O O W W W O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.138</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="28">5.19 4.51 4.09 3.39 3.31 3.03 2.94 2.87 2.85 2.11 1.92 1.75 1.71 1.69 1.60 1.57 1.50 1.44 1.39 1.32 1.26 1.23 1.19 1.18 1.17 1.17 1.07 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:x P:x P:z D:z2 D:xz P:x P:y D:xy D:xy P:z D:xz P:z P:x P:z P:z D:xz P:y P:x P:y D:xz D:z2 P:y D:xy P:x D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -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 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">38 26 35 29 33 2 5 27 57 19 22 77 4 85 85 44 42 21 54 26 44 1 5 46 4 53 21 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O W W O O W W O W O O O 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">-11.136</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="26">6.82 5.37 5.36 4.20 3.86 3.55 3.15 3.04 2.57 2.18 2.04 2.00 1.82 1.66 1.58 1.54 1.51 1.40 1.30 1.27 1.19 1.18 1.16 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z D:xz P:x P:z P:z P:x D:xz P:z P:y P:z P:y P:x D:xy D:xz D:z2 D:z2 P:z D:xz P:x P:z P:x P:y P:z D:yz P:x</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 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">69 93 12 99 59 63 101 16 76 98 98 94 70 7 7 13 16 65 10 72 92 68 73 84 10 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O O O O W O O O O O W W W W O W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.129</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="29">4.35 3.25 2.61 2.41 2.31 2.01 1.85 1.75 1.71 1.66 1.65 1.63 1.54 1.50 1.39 1.33 1.28 1.26 1.25 1.24 1.23 1.22 1.22 1.14 1.09 1.09 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:z P:x P:x D:xy D:xy P:y D:xy P:y D:xy P:y P:x P:y P:y D:x2-y2 P:z D:xz P:y D:xy D:x2-y2 P:x D:xy P:y P:x P:x D:xz 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 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -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 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">52 57 54 72 34 22 4 51 15 33 18 28 35 84 54 19 30 1 44 11 18 60 1 24 68 37 19 53 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O W W O W O W O O O O W O W O W W O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.128</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">226</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">2.78 2.73 2.72 2.70 2.35 2.30 2.20 2.19 2.08 2.03 1.82 1.59 1.50 1.46 1.33 1.24 1.13 1.12 1.06 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:y P:x D:xy P:x P:y D:xy P:x P:z D:xz P:y P:x P:x P:z P:y P:x P:y P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">72 51 35 15 68 84 11 101 54 1 91 52 60 30 61 34 53 97 94 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W O O W O O W O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.080</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="13">6.36 2.87 2.15 1.73 1.53 1.46 1.28 1.27 1.26 1.24 1.20 1.02 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">P:x P:z P:y P:x P:y P:x P:z D:xy P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">40 40 24 39 44 52 30 18 78 82 85 64 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-11.044</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">228</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.79 4.51 2.98 2.72 2.71 2.63 2.25 2.04 1.93 1.80 1.76 1.70 1.49 1.49 1.48 1.46 1.41 1.28 1.28 1.22 1.14 1.09 1.09 1.06 1.05 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:z D:z2 D:z2 P:y P:y P:x P:z D:yz P:z D:z2 P:x P:y D:yz D:xy P:y P:z D:z2 P:z P:z P:z D:yz P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.00 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">96 36 31 3 20 97 31 40 37 6 38 4 42 44 104 6 38 40 21 85 30 77 5 81 28 46 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O W W O O O O W O W O O Tc W O O W O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.925</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="16">2.38 2.16 1.77 1.72 1.68 1.43 1.41 1.37 1.36 1.28 1.20 1.08 1.07 1.06 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 P:y P:z D:yz D:x2-y2 D:x2-y2 P:x D:xz P:x P:z P:y D:xz P:y D:x2-y2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">16 69 101 11 9 13 64 14 40 51 76 15 59 105 7 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W O O W W W O W O O O W O Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.886</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">230</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">1.70 1.58 1.56 1.48 1.46 1.46 1.34 1.29 1.28 1.18 1.18 1.17 1.13 1.05 1.05 1.05 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:x2-y2 D:z2 D:yz P:z P:y D:x2-y2 P:z D:xz P:y D:x2-y2 D:yz P:y P:x P:z P:z P:y P:z D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">20 19 5 44 35 2 52 4 33 21 22 38 54 86 37 29 54 2 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W O O W O 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">-10.723</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="33">5.17 3.39 2.68 2.64 2.47 2.45 2.09 2.07 2.07 1.91 1.89 1.79 1.76 1.76 1.74 1.72 1.68 1.60 1.54 1.45 1.39 1.32 1.28 1.28 1.23 1.21 1.16 1.13 1.09 1.07 1.07 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x D:xy P:y D:x2-y2 P:x D:z2 P:y P:y P:y P:y P:z P:z D:xy P:z P:x D:xy D:xz P:z D:z2 P:y D:z2 D:yz P:y D:xy P:x P:z D:yz D:xz D:yz P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.00 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">64 17 94 9 83 10 99 84 88 72 72 68 7 71 95 14 14 67 7 76 15 15 95 9 79 94 105 9 11 65 66 58 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O W O W O W O O O O O O W O O W W O W O W W O W O O Tc W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.707</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="18">3.52 2.24 2.03 2.01 1.93 1.90 1.78 1.76 1.76 1.67 1.43 1.37 1.26 1.25 1.20 1.20 1.18 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:y P:y P:x D:z2 D:xy D:z2 D:xy P:z P:x D:x2-y2 P:x D:xy P:x P:z D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 0.80 1.00 1.00 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">40 40 63 58 8 105 105 12 58 46 13 42 6 90 84 14 34 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O W Tc Tc W O O W O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.698</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="20">3.38 3.10 3.03 3.01 2.31 2.00 1.92 1.71 1.56 1.47 1.45 1.36 1.33 1.24 1.23 1.21 1.18 1.17 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">D:xy P:x D:xy P:x P:z P:x P:y P:y P:x P:z D:yz D:xy D:z2 P:x P:y P:z P:z P:z D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">6 37 1 30 34 31 43 38 62 84 4 3 4 24 44 81 74 38 21 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W O W O O O O O O O W W W O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.687</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="24">2.55 2.41 2.22 1.90 1.81 1.62 1.56 1.42 1.37 1.34 1.26 1.26 1.21 1.19 1.19 1.14 1.14 1.13 1.12 1.11 1.11 1.07 1.06 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:x P:y P:z D:yz P:x P:z D:x2-y2 P:y P:x D:xz P:x P:x D:z2 D:xy P:z D:x2-y2 P:x 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 -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 -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 0.80 1.33 1.33 0.80 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">84 31 40 74 6 42 27 20 97 96 3 71 55 21 17 81 105 29 38 62 32 24 58 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W O O W O O W O O W W O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.664</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="18">2.94 2.52 2.22 2.22 2.06 1.49 1.47 1.38 1.35 1.34 1.32 1.26 1.15 1.14 1.09 1.08 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">D:z2 P:z P:z P:y P:x P:z P:x P:z P:z P:x P:y D:xy P:x D:xy P:y D:yz D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               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 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">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 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 100 24 37 97 94 34 44 84 37 59 6 99 17 85 18 7 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W O O O O O O O O O O W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.653</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">236</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.13 2.06 1.85 1.82 1.79 1.70 1.62 1.54 1.51 1.39 1.34 1.33 1.32 1.25 1.25 1.21 1.16 1.12 1.10 1.07 1.04 1.03 1.03 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz P:z D:x2-y2 P:z P:y D:xy P:x P:z P:y D:xz P:x D:yz D:xz P:x P:z D:xy D:yz P:x P:x P:z D:z2 P:x D:xy P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">14 51 105 62 94 9 70 92 69 15 40 16 10 67 84 7 13 71 88 74 105 65 10 46 98 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W O Tc O O W O O O W O W W O O W W O O O Tc O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.642</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">237</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.05 2.92 2.54 2.52 2.13 2.08 1.81 1.75 1.52 1.49 1.47 1.47 1.38 1.30 1.29 1.29 1.23 1.21 1.21 1.16 1.13 1.11 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y P:x P:z D:yz D:xz D:xy P:x P:y D:z2 P:x P:x D:xy D:x2-y2 P:z P:y P:y D:yz P:x P:y P:z D:xy 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -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="24">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 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="24">76 63 74 97 76 17 12 16 94 83 6 80 68 17 17 71 71 62 14 100 66 99 13 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W W O O W O O W W O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.632</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="17">3.43 3.19 2.25 1.87 1.78 1.64 1.56 1.54 1.54 1.54 1.37 1.23 1.21 1.18 1.15 1.10 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:y P:z P:y D:xy P:z D:xy P:y D:xz P:x D:x2-y2 D:xz P:z P:y P:y D:z2 D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -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="17">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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">30 24 77 21 28 3 87 18 53 1 4 29 28 29 18 20 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O W O W O 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">-10.628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">239</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.01 2.33 2.26 2.24 2.19 2.19 2.16 2.13 2.11 2.08 2.00 1.75 1.55 1.47 1.41 1.35 1.30 1.19 1.11 1.11 1.06 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">P:y D:xy P:y D:z2 P:y P:x P:y P:y P:z P:z P:x P:z D:z2 P:z P:x P:x P:y P:z P:z P:x D:xz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">68 10 92 12 79 82 60 99 99 90 78 60 7 61 58 66 75 68 101 71 15 75 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O W O W O O O O O O O O W O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.620</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">240</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.63 2.90 2.80 1.73 1.71 1.57 1.52 1.33 1.25 1.25 1.22 1.21 1.18 1.17 1.15 1.14 1.13 1.08 1.08 1.07 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:x D:xy P:y P:z P:x P:z P:y P:y D:z2 D:xz D:yz P:y P:x P:x P:x P:z D:xy D:yz D:x2-y2 P:y</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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">100 27 97 22 35 77 81 44 53 86 6 21 5 28 37 53 24 52 4 19 6 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O O O O W W W O O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.565</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="23">2.47 2.04 1.97 1.83 1.79 1.77 1.60 1.49 1.45 1.45 1.37 1.25 1.23 1.21 1.19 1.18 1.17 1.10 1.09 1.05 1.02 1.00 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:xz P:y D:xy D:xy P:y P:z P:y P:z P:z P:z D:z2 P:y D:xy P:y P:z P:z P:z D:yz P:y P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               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 -4.492 -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">0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 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">22 27 5 18 29 23 39 39 46 29 1 45 2 24 43 86 27 4 96 41 31 30 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W O W W O O O O O O W O W 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">-10.551</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="25">2.77 2.64 2.29 2.06 1.98 1.85 1.67 1.61 1.60 1.49 1.42 1.40 1.39 1.31 1.31 1.29 1.29 1.24 1.14 1.14 1.14 1.09 1.08 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y D:xz P:z P:z P:z D:xy P:z P:y P:y D:xy P:y D:xz P:x P:x P:x P:y D:xz P:x P:x D:xz P:z P:z D:xz D:x2-y2</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 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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 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 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">83 92 9 92 61 62 9 95 73 64 17 27 10 59 67 28 95 15 88 43 14 60 69 4 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O W O O O W O O O W O W O O O O W O O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.543</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="20">3.43 3.08 2.66 2.61 2.54 2.01 1.97 1.86 1.78 1.75 1.71 1.69 1.63 1.43 1.40 1.28 1.28 1.13 1.12 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y D:yz P:y D:yz P:y P:x P:z P:z D:x2-y2 P:z D:xz P:z P:y P:y P:x D:x2-y2 P:y D:xy P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -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="20">1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.00 1.33 0.80 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="20">85 22 27 5 23 39 40 44 105 27 4 49 37 40 43 21 96 20 52 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O W O W O O O O Tc O W O O O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.532</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="21">3.55 2.69 2.57 2.25 1.91 1.89 1.88 1.87 1.84 1.84 1.51 1.48 1.47 1.38 1.25 1.17 1.12 1.10 1.07 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:y P:x P:x P:y D:xz P:x P:z D:xy P:z P:y D:yz D:xz P:y D:yz P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">70 51 40 68 62 84 101 14 72 66 8 61 25 13 17 93 11 99 77 60 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O O W O O W W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.511</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">245</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">2.31 2.15 2.11 1.98 1.95 1.75 1.61 1.51 1.50 1.41 1.38 1.33 1.30 1.29 1.25 1.22 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:x D:xz P:z P:x P:x P:z P:x P:z P:x P:z D:xy D:xz P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -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="17">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">77 39 43 4 39 77 81 66 28 61 70 28 21 14 26 87 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O W O O O O O O O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.494</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="24">2.64 1.94 1.90 1.75 1.74 1.71 1.49 1.47 1.42 1.42 1.39 1.37 1.37 1.33 1.32 1.23 1.21 1.14 1.14 1.13 1.09 1.03 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:x P:y P:x P:x P:z P:z D:xy D:x2-y2 P:y D:yz P:z P:y P:y P:x P:z P:x P:z P:y P:x P:z D:xy 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 -4.492 -4.492 -9.089 -6.681 -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="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 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">40 76 72 64 84 94 14 13 63 105 75 66 88 62 67 69 72 72 89 99 16 51 101 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W O Tc O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.475</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="26">3.97 3.32 3.20 3.05 2.52 2.50 2.48 2.25 2.20 2.06 1.93 1.73 1.69 1.67 1.62 1.61 1.60 1.56 1.38 1.34 1.28 1.22 1.22 1.12 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:x P:z P:y P:y P:x D:x2-y2 P:x P:z D:yz D:z2 P:y P:z P:x D:x2-y2 P:y P:x D:z2 P:x P:y P:z D:yz D:z2 D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">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 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">31 96 24 31 36 54 53 20 30 33 6 3 97 37 100 2 37 41 19 34 45 86 3 21 20 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W O O W W O O O W O O W O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.444</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="28">4.11 3.58 2.63 2.55 2.54 2.46 2.44 2.34 2.28 2.27 2.17 1.85 1.71 1.60 1.55 1.51 1.50 1.49 1.39 1.36 1.36 1.35 1.33 1.22 1.22 1.11 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz P:z P:x P:y D:yz P:z P:y P:x P:y P:y D:z2 P:z P:y P:x P:y P:y P:z P:x D:yz D:xy P:x P:z P:y P:x P:y D:yz D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">16 60 84 69 11 80 89 98 60 68 10 67 63 60 88 72 72 93 8 14 51 99 25 94 62 15 9 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W O O O W O O O O O W O O O O O O O W W O O O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.438</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="32">3.91 3.03 2.58 2.26 2.26 2.21 2.11 2.04 2.00 1.90 1.87 1.77 1.61 1.54 1.53 1.53 1.49 1.47 1.36 1.30 1.30 1.28 1.28 1.27 1.27 1.22 1.21 1.20 1.17 1.10 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:y P:y P:x D:yz D:yz D:xy P:x P:y P:y P:y P:z P:z P:y D:yz P:x P:y P:x P:z P:z D:xy P:z P:z P:y D:x2-y2 P:y D:yz P:x P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -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 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">29 86 29 31 19 5 2 54 34 30 35 45 52 96 22 27 33 24 29 53 3 49 27 37 20 23 2 33 27 54 45 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O W W W O O O O O O O W O O O O O W O O O W O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.430</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">3.60 2.35 2.01 1.99 1.57 1.54 1.50 1.40 1.39 1.36 1.34 1.30 1.22 1.20 1.14 1.11 1.09 1.08 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x D:xy P:x P:z P:z D:yz P:x P:x P:y P:x P:z P:z D:xz P:z P:y P:x D:xz P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">76 16 65 101 94 11 84 51 60 61 59 25 11 99 40 93 12 90 80 75 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O W O O O W O O O O O O W O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.398</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">251</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.25 3.79 2.60 2.54 2.41 1.98 1.86 1.79 1.58 1.48 1.45 1.42 1.40 1.40 1.40 1.34 1.24 1.23 1.22 1.17 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:z D:z2 P:z D:yz D:xy P:z P:x P:y P:x P:z P:z D:x2-y2 P:x D:xy P:x D:z2 P:y P:x P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">57 26 97 19 36 2 5 45 23 96 49 37 86 18 30 16 76 22 48 42 34 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O W W O O O O O 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">-10.348</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="25">4.03 3.03 2.44 2.26 2.11 2.11 1.78 1.74 1.72 1.61 1.57 1.52 1.51 1.50 1.40 1.30 1.19 1.19 1.16 1.14 1.12 1.08 1.04 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:y P:z P:x D:xz P:x P:x P:z D:xy P:x D:x2-y2 P:y D:z2 D:yz P:z P:y P:z P:x P:x P:y D:xy 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 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">62 62 64 65 51 63 15 88 67 64 16 76 12 40 7 16 27 59 67 80 89 27 10 94 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W O O O W O W O W W 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">-10.318</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">4.45 2.18 1.98 1.87 1.78 1.58 1.56 1.44 1.38 1.35 1.25 1.25 1.24 1.22 1.21 1.17 1.06 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:x P:z P:y D:xz D:xy P:x D:z2 P:y P:x P:x D:xy P:z P:x P:z P:y D:xy 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 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">68 99 60 60 101 16 11 72 10 58 42 84 5 71 23 69 78 3 83 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O W W O W O O O W O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.291</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="22">2.73 2.45 2.42 2.35 2.00 1.76 1.75 1.58 1.52 1.48 1.42 1.36 1.34 1.29 1.17 1.17 1.12 1.11 1.08 1.07 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:z P:x P:y P:y P:x P:x P:x P:z P:y P:x P:x D:xy P:y D:xy P:y P:x D:z2 D:x2-y2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">30 84 24 29 68 37 27 33 38 29 96 24 51 5 46 3 101 60 2 19 23 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O W O W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.281</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="23">2.79 2.58 2.26 2.09 2.03 1.99 1.92 1.73 1.60 1.59 1.52 1.52 1.49 1.43 1.24 1.18 1.16 1.13 1.10 1.06 1.06 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:z D:xz P:x P:x P:x P:y P:z D:xy P:x P:x D:x2-y2 P:x P:y P:x D:x2-y2 P:z P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">55 27 27 3 30 32 48 38 53 1 87 24 18 36 24 96 20 38 62 63 35 32 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W O O O O O W O O W O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.266</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="23">4.18 3.50 3.34 2.88 2.84 2.60 2.45 2.22 1.93 1.82 1.69 1.66 1.64 1.62 1.55 1.55 1.51 1.44 1.40 1.27 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:x P:y P:z P:z P:z P:z P:z P:z P:y P:x P:y P:z P:x P:z D:xz P:z P:z P:x P:x D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">60 92 61 72 58 99 68 72 59 69 99 91 93 60 79 98 10 61 70 90 76 11 15</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 W O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.256</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="23">4.28 3.32 2.19 2.06 2.00 1.87 1.87 1.83 1.70 1.61 1.58 1.48 1.46 1.39 1.32 1.31 1.26 1.21 1.17 1.17 1.12 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:y P:z P:x P:z P:x P:y P:y P:x P:z P:x P:x P:x P:y P:z P:z P:x P:x P:x P:y P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">37 97 24 53 94 96 34 100 36 96 84 33 76 70 35 46 44 51 52 58 29 65 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">-10.238</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">4.26 3.60 3.45 3.44 2.72 2.55 2.40 2.37 2.22 2.20 2.07 1.78 1.62 1.59 1.48 1.38 1.33 1.32 1.30 1.24 1.20 1.19 1.13 1.12 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z P:x P:z P:y P:y P:x P:z P:y P:z P:z P:y P:y P:x P:x P:z D:z2 P:y P:y P:x P:y P:y P:y P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">29 31 30 77 28 31 54 29 24 34 36 30 42 26 57 97 1 52 53 24 27 41 97 43 33 81 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.210</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="21">3.55 3.16 2.83 2.36 2.03 1.98 1.95 1.62 1.54 1.48 1.35 1.28 1.25 1.21 1.19 1.17 1.11 1.08 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:y P:z P:y P:z P:z P:y P:x P:z P:z P:y P:x P:y D:z2 D:yz P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">73 68 99 58 60 73 70 40 91 79 40 72 61 71 7 12 72 76 60 99 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.174</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="15">8.14 5.49 3.85 3.68 3.52 3.21 3.13 2.51 2.44 2.40 2.03 1.34 1.33 1.29 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:x P:y P:y P:x P:z P:y P:x P:z P:y P:z P:z P:x P:z 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">94 63 63 98 93 53 34 98 35 52 93 94 71 74 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.147</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="23">3.13 2.99 2.91 2.83 2.09 2.00 1.97 1.96 1.91 1.47 1.45 1.39 1.38 1.30 1.28 1.26 1.25 1.21 1.20 1.17 1.06 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:y P:y P:y P:z P:z P:x P:y P:z P:x P:x P:z P:x P:x P:x P:z D:x2-y2 D:z2 P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">27 62 34 27 38 62 38 85 64 81 30 93 52 42 46 94 82 21 4 44 53 43 43</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 W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.136</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="15">8.61 6.34 5.89 5.06 2.89 2.85 2.27 1.87 1.74 1.72 1.32 1.25 1.22 1.21 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:y P:z P:y P:z P:y P:x P:y P:x P:x P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">53 34 35 52 97 37 94 63 63 26 98 84 39 44 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.119</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="28">2.97 2.73 2.54 2.28 2.23 2.08 1.96 1.93 1.79 1.68 1.65 1.64 1.51 1.50 1.46 1.39 1.36 1.28 1.26 1.25 1.21 1.11 1.07 1.04 1.03 1.03 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:z P:y P:z P:x P:y P:y P:y P:z P:x P:z P:x P:z P:x P:y P:y P:x P:y P:x P:x P:y P:z P:z P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">62 82 27 27 62 93 34 64 67 88 94 52 98 38 32 38 80 55 35 91 50 78 67 89 93 64 95 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">-10.103</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="26">3.42 2.84 2.82 2.38 2.22 2.17 1.81 1.70 1.64 1.64 1.57 1.49 1.37 1.23 1.22 1.20 1.14 1.14 1.13 1.10 1.10 1.07 1.05 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:z P:y P:z P:y P:z P:z P:y P:z P:y D:x2-y2 P:z P:z D:xy P:x D:xz P:y P:y P:z P:x P:y P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">71 61 58 25 63 78 91 83 94 88 58 8 95 53 14 62 105 42 80 56 91 66 101 70 92 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O W O O W O Tc O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.086</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">7.58 5.25 3.79 2.77 2.63 2.62 1.79 1.57 1.45 1.44 1.43 1.40 1.33 1.18 1.17 1.16 1.12 1.10 1.09 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:z P:x P:z P:y P:x P:y P:x P:z D:z2 D:x2-y2 P:x D:xy P:z P:x D:xy D:x2-y2 P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">74 70 25 58 58 83 71 62 73 75 8 8 64 12 83 95 10 13 67 84 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O W W O W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.067</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="25">3.30 2.26 1.97 1.71 1.67 1.67 1.67 1.66 1.66 1.52 1.34 1.27 1.24 1.22 1.12 1.12 1.12 1.11 1.10 1.09 1.09 1.06 1.03 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:y P:x P:x P:x P:y P:x P:z P:z P:x P:y P:z P:y P:x P:x P:x P:z P:x P:x P:y P:z 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">92 32 71 66 46 59 56 61 91 92 55 83 59 48 28 44 78 52 82 47 45 88 95 67 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.056</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="22">2.82 2.12 1.98 1.94 1.81 1.76 1.72 1.68 1.65 1.56 1.53 1.50 1.38 1.24 1.17 1.15 1.14 1.09 1.06 1.06 1.04 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:z P:x P:x P:z P:z P:z P:z P:x P:y P:z D:xz P:y P:x D:yz 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">26 33 49 77 50 95 44 55 100 77 53 42 30 43 47 97 4 90 30 5 61 57</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 O</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">268</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">3.71 2.90 2.59 2.31 1.79 1.78 1.62 1.62 1.48 1.40 1.36 1.32 1.16 1.13 1.12 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:y P:x P:y P:y P:x P:x P:x P:x 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="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 85 95 42 54 66 24 27 42 90 79 100 33 78 46 77 61</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">-10.035</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">269</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.65 2.71 2.63 2.56 2.02 1.98 1.88 1.87 1.77 1.62 1.60 1.56 1.54 1.49 1.26 1.23 1.21 1.18 1.13 1.11 1.11 1.10 1.08 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">P:y P:x P:z P:x P:x P:x P:x P:z P:x P:x P:y D:xy P:y P:y P:y P:y P:x P:x P:y P:z P:x P:z P:y P:z 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 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 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">42 44 43 66 28 49 46 46 100 92 41 5 47 45 90 48 26 77 71 77 45 57 49 59 80 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.028</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="23">4.41 3.37 3.29 3.27 2.50 2.38 2.30 2.13 2.07 2.03 1.72 1.70 1.69 1.65 1.55 1.36 1.28 1.26 1.23 1.23 1.15 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:x P:z P:z P:x P:x P:z P:y P:x P:y P:z P:z P:x P:z P:x P:y P:z P:x P:z P:z D:yz 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 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">57 81 50 23 87 28 46 37 85 81 87 45 54 28 26 43 97 33 36 81 22 28 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.017</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">271</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">7.68 4.30 3.90 3.30 3.27 3.17 3.10 2.40 2.31 1.69 1.64 1.48 1.43 1.35 1.25 1.23 1.16 1.10 1.07 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:z P:y P:x P:y P:y P:z P:z D:x2-y2 P:y D:yz P:x P:x P:z P:z P:y 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 -6.681 -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="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">74 68 99 69 51 76 101 83 65 64 105 71 17 71 83 67 98 70 63 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O Tc 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">-9.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">272</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">3.89 2.87 2.68 2.26 2.25 2.17 1.86 1.83 1.71 1.64 1.54 1.41 1.39 1.32 1.28 1.24 1.18 1.18 1.12 1.12 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z P:y P:z P:z P:z P:y P:z P:y P:x P:x P:y P:z D:yz P:y P:y P:y P:x P:z P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">100 74 101 99 76 69 68 58 56 91 65 84 93 105 75 51 40 89 65 88 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O Tc O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.957</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">3.65 2.86 2.76 2.39 2.36 2.18 2.04 1.64 1.32 1.30 1.24 1.21 1.17 1.13 1.08 1.07 1.04 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:x P:y P:y P:z P:z P:z P:x P:x P:x P:x P:z D:x2-y2 P:x P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 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="19">56 100 23 71 75 46 100 74 92 84 70 51 81 13 39 76 66 44 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">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">-9.936</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="18">2.44 2.18 1.97 1.91 1.76 1.70 1.50 1.50 1.46 1.40 1.36 1.31 1.30 1.25 1.16 1.09 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:z P:x P:x P:z P:y P:x P:y P:y P:x P:z P:z P:z P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">92 46 23 59 96 76 72 71 37 51 66 57 28 39 61 46 91 31</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">-9.924</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="28">5.70 2.87 2.59 2.26 2.04 1.97 1.80 1.55 1.53 1.53 1.39 1.34 1.30 1.30 1.27 1.26 1.24 1.20 1.15 1.11 1.10 1.10 1.05 1.03 1.03 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">P:y P:x P:z P:x P:x P:y D:yz P:x P:x D:z2 P:y P:x P:y P:x P:z P:x P:x P:y P:z P:z P:x P:x P:x P:x P:x D:xy 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 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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 1.00 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">36 33 37 100 24 30 104 38 55 6 33 30 42 97 96 52 54 49 85 97 96 49 53 35 31 18 77 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O Tc O O W 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">-9.913</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">276</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.15 3.91 2.93 2.76 2.67 2.66 2.24 1.83 1.80 1.67 1.66 1.47 1.40 1.27 1.27 1.21 1.14 1.10 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:x P:x P:x P:z P:y P:y P:x D:xz P:x P:z P:x D:xz P:y D:x2-y2 P:y P:x P:z P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">74 74 89 83 76 25 65 71 100 11 65 75 67 10 95 17 59 23 95 94 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O W O O O W O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.889</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="22">4.38 4.20 3.02 2.73 2.60 2.58 2.44 2.11 2.10 2.03 1.94 1.80 1.80 1.77 1.58 1.51 1.43 1.11 1.09 1.09 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:x P:y P:y P:y P:z P:y D:xz P:y P:y P:z P:z D:yz P:y P:x P:x P:y P:x D:yz P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -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="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">36 100 43 96 45 49 97 46 4 81 44 54 85 6 48 57 44 30 42 104 23 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O W O O O O W 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">-9.858</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="34">3.89 2.30 2.23 2.23 2.20 2.15 2.04 2.04 2.03 1.89 1.89 1.71 1.69 1.68 1.62 1.55 1.51 1.51 1.47 1.39 1.31 1.29 1.29 1.26 1.26 1.24 1.23 1.13 1.12 1.12 1.09 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:x P:z P:y P:z P:z D:z2 P:z D:z2 P:x P:y P:z P:z P:y P:z P:y P:y P:z P:y P:x D:yz P:x P:y D:xy D:z2 P:x P:x D:xy P:z D:yz D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">72 60 91 59 92 61 98 72 9 89 14 68 94 71 63 68 94 93 92 66 80 84 8 67 79 13 13 51 91 11 99 15 10 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O W O W O O O O O O O O O O O W O O W W O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.845</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="23">3.43 2.45 2.41 2.24 1.90 1.75 1.51 1.45 1.44 1.43 1.40 1.32 1.31 1.31 1.26 1.20 1.16 1.13 1.12 1.07 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:x P:y P:x D:xy P:x P:z P:y D:xy P:y P:z P:z P:x P:y D:xy P:x P:y 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 -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 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">26 31 42 77 52 22 81 41 46 5 37 33 87 49 28 4 100 75 46 24 39 66 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W O O O W 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">-9.841</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="21">4.73 4.24 3.51 2.51 2.49 2.12 1.91 1.69 1.45 1.39 1.37 1.35 1.32 1.31 1.29 1.20 1.18 1.16 1.11 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:x P:x P:y P:y P:x P:z P:z P:y P:z P:z P:x P:y P:x P:y D:xz P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">28 57 46 35 31 45 34 42 27 29 77 26 43 53 39 54 4 29 57 34 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.835</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">281</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.09 2.98 2.28 2.25 2.13 2.08 1.78 1.76 1.75 1.64 1.48 1.46 1.45 1.42 1.35 1.35 1.28 1.23 1.20 1.11 1.09 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:x P:x P:z P:x P:z D:xz P:y P:x P:y D:xz P:x P:y P:y P:x P:y P:z P:x P:z P:x P:z P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 89 67 58 88 70 11 95 84 61 15 61 63 80 73 79 90 78 91 63 40 72 51 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O O W 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">-9.804</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="25">3.56 2.68 2.40 2.02 1.99 1.79 1.73 1.73 1.68 1.55 1.52 1.49 1.41 1.32 1.31 1.27 1.27 1.25 1.22 1.21 1.17 1.09 1.08 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:x P:y P:x D:x2-y2 P:x P:x D:xz P:x P:x D:xy P:y P:x D:xy D:xz 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="25"
                               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 -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</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 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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">40 43 74 46 32 77 2 80 32 3 36 95 16 48 96 3 20 85 37 42 45 59 85 39 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W O O W O O W O O W W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.755</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="21">7.32 5.98 3.45 3.14 2.79 2.73 2.52 2.39 2.34 2.08 1.94 1.84 1.83 1.81 1.81 1.71 1.69 1.33 1.21 1.21 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x D:xz P:y P:z P:x P:x P:z P:y P:x P:x D:xy D:xz P:x D:xz P:y P:z D:xy P:z D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               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 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">66 88 15 81 51 80 96 55 55 81 70 16 20 100 14 95 86 21 74 14 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W O O O O O O O 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">-9.721</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="22">4.20 3.89 3.70 3.18 3.14 2.83 2.22 1.81 1.67 1.60 1.54 1.52 1.45 1.31 1.27 1.20 1.19 1.13 1.10 1.09 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:z P:x P:y P:y P:z P:y P:x P:z P:y P:z P:x P:z P:x P:x D:z2 D:x2-y2 P:x P:z P:z D:z2 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 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">90 25 79 90 66 81 95 61 67 79 66 80 86 67 8 12 89 89 86 19 99 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O W W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.719</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">5.10 2.79 2.70 2.55 2.46 2.44 2.07 1.91 1.91 1.74 1.58 1.57 1.44 1.34 1.26 1.26 1.19 1.14 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:y P:y P:y P:y P:z P:x P:z D:x2-y2 P:x P:y P:z P:x P:z P:y P:z P:z D:x2-y2 P:x D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">95 79 55 90 43 56 86 9 66 87 25 45 88 48 90 79 13 32 20 46 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O O O O O O O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.713</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="22">3.96 3.28 3.12 3.00 2.87 2.25 2.02 1.80 1.65 1.59 1.53 1.44 1.41 1.35 1.34 1.29 1.15 1.06 1.05 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:z P:x P:y P:z D:x2-y2 P:x P:x P:x D:xz P:y D:xy P:z P:x P:x D:xz 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 -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 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">45 40 32 43 74 49 2 36 49 56 4 67 5 48 80 42 3 95 87 92 42 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W 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">-9.704</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="18">5.38 5.08 4.92 4.34 3.25 2.32 2.10 1.98 1.95 1.73 1.58 1.48 1.37 1.35 1.26 1.22 1.14 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:z P:y P:z P:y P:x P:x P:z P:y P:y P:x P:x P:x P:z P:y P:x D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">81 87 48 43 87 28 100 48 95 49 86 77 56 23 79 55 1 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.675</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="24">3.93 3.39 2.81 2.52 2.44 2.37 2.02 2.00 1.95 1.70 1.66 1.65 1.60 1.41 1.38 1.35 1.28 1.20 1.19 1.18 1.15 1.14 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:y P:y P:z P:y P:z P:z D:xz D:xy P:x P:y P:y D:yz P:z P:x P:y P:x P:z D:yz P:z P:y D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 95 66 89 56 88 67 81 9 14 25 69 43 11 23 98 90 45 52 13 80 80 15 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W W O O O W O O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.671</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="24">3.48 3.41 3.39 3.11 2.78 2.46 1.79 1.78 1.55 1.41 1.39 1.36 1.35 1.34 1.28 1.21 1.19 1.18 1.12 1.11 1.08 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:z P:y P:y P:x P:z D:xy P:z P:x P:x P:z D:xy P:z P:y P:x P:y P:z P:x P:y P:z P:x P:x 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 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">90 56 23 25 66 95 100 12 45 89 56 74 14 40 55 28 86 66 79 88 81 49 80 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W O O O O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.670</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">290</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">9.94 7.61 6.16 6.06 3.57 2.98 2.57 2.55 2.45 2.38 2.11 1.94 1.85 1.70 1.51 1.41 1.40 1.40 1.32 1.32 1.29 1.23 1.14 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:z P:z D:z2 D:yz D:z2 P:z P:y P:z P:y P:y D:yz P:z P:z P:y D:z2 D:x2-y2 D:x2-y2 D:yz P:y P:y P:y D:yz P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -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="26">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 1.33 0.80 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="26">88 67 90 79 7 15 12 89 80 72 79 66 10 60 101 72 10 7 12 16 60 90 25 12 88 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W W O O O O O W O O O W W W W O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.663</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="26">9.88 5.97 3.31 3.00 2.91 2.80 2.75 2.55 2.00 1.96 1.94 1.93 1.80 1.66 1.65 1.55 1.52 1.44 1.37 1.36 1.31 1.18 1.15 1.15 1.13 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 D:xy D:x2-y2 P:x P:y P:y P:x P:x D:xy P:y D:xz D:xz P:z P:z D:x2-y2 P:y P:z P:y P:z P:y 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 -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 -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="26">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 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="26">55 48 87 32 1 20 31 87 45 29 81 3 43 18 1 81 49 18 86 32 23 52 48 55 55 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W W O O O O O W O W W O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.661</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="25">4.38 3.51 3.30 2.60 2.54 2.48 2.16 1.97 1.94 1.90 1.51 1.49 1.48 1.39 1.33 1.21 1.18 1.15 1.15 1.12 1.12 1.12 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:x P:z P:x P:x P:z P:x P:y P:x P:z P:x D:x2-y2 P:x P:y P:x P:x P:z D:xy P:z D:xz D:xz 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">32 32 95 87 79 55 66 43 43 56 25 3 23 23 86 36 79 7 88 9 4 86 45 81 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O W O O O O O W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.652</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="26">5.23 4.66 3.34 3.16 2.28 2.15 2.07 1.90 1.72 1.71 1.62 1.61 1.55 1.53 1.52 1.34 1.32 1.30 1.19 1.17 1.17 1.16 1.09 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:z P:y P:z D:xy P:z P:y P:x P:z P:x P:y P:x P:y D:x2-y2 P:z P:z P:x P:z P:y P:y D:xy P:y D:xy P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -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 -4.492 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">90 79 25 66 48 12 43 90 64 80 43 95 66 56 8 90 23 62 95 87 81 14 49 7 88 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O O O O O O O O W O O O O O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.650</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">8.12 4.41 4.19 4.12 3.38 3.14 2.55 2.28 2.01 1.93 1.87 1.67 1.62 1.52 1.49 1.35 1.27 1.24 1.23 1.16 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z D:z2 P:y P:x P:z P:y P:y D:z2 D:yz P:z P:z D:yz P:y P:x P:z D:yz P:y P:z P:y P:y P:z P:x</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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">87 43 18 81 81 48 49 48 1 5 49 32 21 86 87 38 4 38 27 33 27 100 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W O O O O O W W O O W O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.639</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="24">5.31 4.03 3.37 2.51 2.51 2.49 2.19 2.18 1.76 1.70 1.68 1.63 1.63 1.44 1.36 1.35 1.34 1.25 1.24 1.15 1.14 1.10 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:z P:z P:z P:z P:z P:y P:y P:y P:y P:x P:y P:y D:yz P:z D:yz D:z2 P:y P:y P:z P:x 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 -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 -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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">79 90 48 67 80 87 79 89 88 48 23 45 86 32 16 95 11 10 87 43 56 56 25 22</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 W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.632</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="20">4.20 3.56 3.02 2.87 2.62 2.26 2.19 1.94 1.82 1.78 1.62 1.61 1.47 1.43 1.40 1.37 1.36 1.23 1.19 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:z P:y P:y P:z P:x P:y D:xy P:z P:y P:x P:y P:z P:x P:z D:xz P:y P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">48 79 32 87 45 48 3 67 90 32 23 80 55 55 20 89 86 79 86 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.525</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="14">9.55 4.61 4.46 4.40 4.18 3.48 3.29 2.76 2.44 1.82 1.46 1.30 1.19 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:z P:x P:y P:x P:y P:x P:z P:z P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">88 89 95 56 66 95 56 74 23 40 84 86 100 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.512</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="13">6.76 6.34 6.08 5.19 5.05 4.08 3.91 2.68 2.42 1.89 1.86 1.48 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">P:y P:y P:z P:x P:z P:x P:x P:x P:y P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">80 67 23 66 43 55 25 45 55 95 81 25 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.511</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">299</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">9.08 7.56 4.04 3.85 3.75 3.15 2.89 2.13 2.11 2.10 1.95 1.79 1.53 1.39 1.16 1.15 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:z P:x P:x P:y P:y P:y P:z P:z P:y P:y P:x P:z P:z P:z P: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 -9.089 -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">89 80 23 45 86 56 45 67 25 88 55 49 25 43 86 45 55 56 41</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">-9.502</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="17">7.64 7.57 7.53 6.66 4.81 3.10 2.98 2.46 1.86 1.84 1.78 1.45 1.40 1.32 1.12 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:y P:x P:x P:z P:z P:x P:y P:x P:z P:y P:y P:z P:y D:x2-y2 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 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">49 81 86 32 43 32 25 80 66 81 67 55 86 50 3 23 5</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.481</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">301</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.44 5.15 3.73 3.62 3.57 3.17 3.06 2.27 1.85 1.70 1.59 1.58 1.56 1.49 1.47 1.33 1.28 1.24 1.23 1.19 1.12 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:x P:x P:z P:z P:z P:x D:z2 D:xz P:x P:z P:y P:x P:z P:x P:x P:x P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 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">86 49 25 100 40 74 89 40 105 19 32 100 86 88 61 43 77 70 51 56 23 46 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O Tc 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">-9.450</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="24">7.21 4.18 3.11 2.94 2.92 2.79 2.40 2.37 2.25 1.84 1.83 1.40 1.40 1.38 1.31 1.26 1.21 1.19 1.17 1.14 1.11 1.10 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:x P:x P:y P:z P:z P:x P:z P:y P:x P:x D:xy D:yz P:y P:x P:x P:y P:z P:x P:y D:xy P:z 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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">40 74 80 67 45 89 56 49 95 85 45 95 16 13 64 90 25 100 25 77 80 10 100 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O W W O O O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.425</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="30">4.82 4.55 3.22 3.18 3.04 2.26 2.24 2.11 2.10 2.06 2.04 1.82 1.78 1.64 1.57 1.55 1.51 1.50 1.44 1.36 1.29 1.26 1.20 1.18 1.14 1.12 1.07 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:y P:y P:y P:y P:x P:z P:x D:x2-y2 P:z P:y P:x P:y P:z P:y D:xy P:z D:xy P:x P:z D:x2-y2 P:z P:z D:x2-y2 D:xy D:xy 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 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 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">56 94 63 25 62 63 66 25 62 79 13 64 95 90 64 49 98 8 56 14 93 93 8 48 94 9 7 12 79 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O W O O O O O O W O W O O W O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.419</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="23">6.23 5.30 5.28 5.08 3.86 3.18 2.90 2.86 2.84 2.74 2.63 2.22 2.02 1.89 1.63 1.52 1.50 1.48 1.43 1.31 1.24 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:y P:z D:yz P:y P:y P:z P:z D:yz P:z P:y P:y D:z2 P:z D:z2 P:y P:y P:z D:yz P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 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="23">23 53 34 49 22 27 52 35 48 5 27 87 38 18 38 1 81 43 43 4 56 49 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O O O O W O O O W O W O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.348</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="22">8.23 3.95 2.84 2.70 2.66 2.61 2.59 2.32 2.27 2.18 2.08 2.02 1.71 1.63 1.44 1.38 1.26 1.22 1.21 1.11 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:x P:z P:y D:yz P:x P:y P:x P:z D:xz P:x P:y P:z P:z P:z P:z D:xz P:y P:y D:xz P:y D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">60 64 91 17 68 61 99 59 12 72 64 92 93 90 98 7 84 70 16 29 11 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O W O O O O W O O O O O O W O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.341</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">5.13 4.76 4.35 3.65 3.30 2.94 2.68 2.67 2.55 2.09 1.82 1.79 1.74 1.39 1.36 1.31 1.24 1.24 1.23 1.21 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:z P:z P:y P:z P:y P:y P:y P:z D:yz P:y P:y P:z D:yz D:xy P:z D:z2 P:y D:z2 D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">60 68 69 99 89 60 101 79 67 80 11 29 88 92 16 11 90 10 72 7 7 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O W O O O W W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.336</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="29">6.07 3.51 2.90 2.68 2.64 2.40 2.29 2.19 2.18 2.17 2.06 1.79 1.78 1.72 1.71 1.65 1.55 1.54 1.52 1.47 1.45 1.42 1.29 1.29 1.14 1.14 1.10 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:x P:y P:x P:x P:x P:y P:z D:xy D:yz P:y P:x P:y P:y D:xy P:z P:z P:x P:z P:x P:y P:z P:y P:z P:y 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 -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 -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 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 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">29 24 45 29 48 33 30 54 24 1 2 30 54 32 86 3 55 31 87 32 34 28 45 55 33 101 86 60 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O W W O O O O W O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.333</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="23">6.91 4.77 3.39 3.05 2.66 2.42 2.29 2.26 2.26 1.95 1.90 1.83 1.82 1.76 1.74 1.29 1.29 1.13 1.05 1.04 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:y P:x P:y P:y P:z D:yz P:x D:xy P:z P:z P:y D:xz D:xz P:z D:xy P:z D:yz D:z2 P:y D:xz 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 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</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 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="23">38 29 29 35 57 28 26 6 52 4 77 24 30 1 18 30 6 99 19 2 60 21 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W O W O O O W 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">-9.300</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">2.45 2.44 2.38 2.25 2.09 2.04 2.03 1.74 1.72 1.68 1.51 1.45 1.38 1.38 1.34 1.28 1.16 1.15 1.02 1.02 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:x P:y P:x P:x P:x P:z P:x P:x P:z P:y P:z P:x P:z P:y P:x P:y P:y P:y D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">43 85 66 86 73 39 77 81 81 95 41 41 75 67 55 96 88 40 81 79 105 96 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.286</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="28">3.65 3.38 2.77 2.62 2.60 2.20 1.94 1.92 1.84 1.73 1.71 1.64 1.62 1.51 1.48 1.25 1.23 1.22 1.20 1.19 1.14 1.13 1.12 1.12 1.09 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:x P:x P:x P:x P:y P:y P:y P:z P:z D:z2 D:xy D:xy P:x P:z D:xz P:z P:z P:x P:z P:x P:x P:z P:z P:z 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 -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 -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 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 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">51 68 99 101 69 79 58 70 84 65 63 9 11 15 95 58 16 71 76 86 89 65 90 93 98 80 94 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O W W 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">-9.259</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="18">5.15 4.11 2.90 2.64 2.43 1.99 1.99 1.95 1.70 1.69 1.66 1.64 1.56 1.49 1.42 1.26 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:x P:y P:x P:y P:x D:xy P:x P:z P:x P:z D:x2-y2 P:x P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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 0.80 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">80 40 56 74 51 85 66 16 70 61 88 40 13 100 56 95 86 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O W 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">-9.254</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="26">3.49 3.44 2.41 2.35 2.27 2.22 1.90 1.84 1.61 1.56 1.54 1.52 1.50 1.50 1.45 1.44 1.30 1.21 1.20 1.15 1.15 1.11 1.09 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:x P:y P:x P:y P:z P:x P:y D:z2 P:x P:z P:z P:x P:y D:z2 P:z P:x P:z D:x2-y2 P:y P:x P:x P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">96 45 52 36 34 44 33 53 46 2 32 24 30 35 87 20 85 86 45 21 54 87 48 42 54 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O W O O O O O W 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">-9.225</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="24">3.70 3.04 2.76 2.52 2.44 2.23 2.22 2.21 2.20 2.16 2.15 2.09 1.99 1.92 1.91 1.86 1.80 1.79 1.75 1.74 1.54 1.44 1.40 1.40</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:z P:x P:x P:z P:z P:x P:z P:y P:x P:x P:x P:z P:y P:y P:y P:z P:z P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">90 40 89 87 86 39 61 75 23 79 90 40 51 70 58 48 87 49 80 50 73 25 78 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.196</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="30">5.66 4.27 3.19 3.12 2.90 2.88 2.72 2.29 2.25 2.13 2.07 2.03 1.75 1.73 1.69 1.69 1.67 1.64 1.61 1.52 1.45 1.45 1.33 1.33 1.27 1.25 1.23 1.10 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:z P:y P:y P:y P:z P:y P:x P:x P:y P:z P:y P:x P:x P:y P:x P:z P:z P:z P:x P:z P:x P:x P:y P:y 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">39 75 50 90 47 48 87 79 82 66 75 25 78 95 78 56 86 90 89 79 45 43 23 40 80 49 81 55 41 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.174</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="25">5.78 4.73 3.89 3.39 3.30 3.30 3.14 3.04 2.99 2.51 2.49 2.35 2.16 1.79 1.69 1.61 1.51 1.46 1.42 1.41 1.36 1.11 1.10 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:z P:z P:z P:y P:z P:y P:y P:z P:y P:y P:y P:x P:y P:z P:x P:y P:z D:yz P:x P:z P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">88 89 67 80 99 69 68 90 101 79 79 72 60 90 48 32 72 87 67 60 11 67 45 86 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.166</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="27">5.10 5.08 4.99 4.32 3.84 3.34 3.33 2.81 1.98 1.93 1.88 1.82 1.73 1.61 1.56 1.55 1.55 1.49 1.47 1.39 1.31 1.09 1.07 1.07 1.05 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:x P:z P:z P:x P:y P:x P:y P:y P:x P:z P:x D:z2 D:xz P:x P:y P:z P:y P:y P:z P:y P:y P:y P:x D:x2-y2 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 -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 -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 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">32 87 48 45 55 24 86 33 31 88 30 31 55 2 1 54 29 29 89 79 86 54 97 30 45 19 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O W W 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">-9.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">317</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.29 4.98 3.81 3.57 2.96 2.50 2.34 2.16 2.10 1.78 1.76 1.75 1.64 1.51 1.45 1.42 1.36 1.34 1.27 1.20 1.20 1.10 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">P:z P:z P:x P:y P:y P:x P:x P:z P:x P:z P:y P:z P:x P:y P:z P:y P:y P:x P:x P:x 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">88 23 56 56 75 50 66 78 55 39 67 56 78 71 75 41 25 73 86 82 89 81 80 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">-9.130</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="25">5.92 2.95 2.73 2.49 2.39 2.34 2.27 2.26 2.17 2.13 1.91 1.90 1.89 1.65 1.63 1.44 1.44 1.42 1.40 1.35 1.28 1.13 1.10 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:z P:x P:z P:z P:z P:x P:x P:z P:z P:x P:y P:y P:y P:x P:z P:x P:y P:x P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">73 55 82 50 79 67 58 32 25 88 41 89 78 90 67 75 74 80 41 81 41 61 51 100 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.124</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="22">6.41 5.24 3.03 2.69 2.44 2.35 2.31 1.91 1.83 1.68 1.52 1.43 1.37 1.37 1.35 1.33 1.28 1.26 1.19 1.19 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:x P:x P:y P:y P:z P:x P:x P:x P:y P:z P:z P:z P:z P:x P:z P:y P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">25 58 95 82 80 67 88 51 50 55 73 25 51 70 89 68 82 75 75 41 23 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.117</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">8.33 8.25 5.48 4.31 4.04 3.35 3.00 2.13 1.68 1.52 1.46 1.36 1.35 1.31 1.23 1.11 1.08 1.08 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:x P:x P:z P:y P:z P:z P:x P:z P:z P:x P:z P:x P:x P:y P:y P:z P:z P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 10.371</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">49 32 47 23 39 41 43 45 50 39 55 86 86 50 96 55 47 45 24 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.082</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="25">3.81 3.78 3.54 3.48 3.41 3.34 3.33 2.93 2.73 2.48 1.82 1.75 1.75 1.66 1.65 1.59 1.42 1.29 1.28 1.27 1.22 1.20 1.13 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:y P:x P:z P:z P:z P:y P:z P:z P:z P:z P:x P:y P:y P:x P:y P:z P:x P:x P:x P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 89 71 66 88 67 82 65 79 58 73 51 95 56 78 78 90 25 51 61 59 62 91 92 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">322</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.72 3.80 3.39 3.33 3.10 2.80 2.78 2.67 2.64 2.52 2.48 2.16 2.02 2.00 1.90 1.73 1.72 1.55 1.52 1.49 1.37 1.31 1.26 1.24 1.08 1.07 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:z P:y P:z P:z P:x P:y P:z P:z P:y P:x P:x P:x P:z P:z P:x P:x P:x P:x P:y P:y P:z P:y P:x 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">96 32 23 42 43 36 55 49 87 81 81 42 86 46 50 26 27 77 45 41 37 47 47 23 47 50 39 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.057</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">323</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.19 5.85 5.78 5.77 5.49 4.46 4.20 3.70 3.68 3.63 3.54 3.06 2.88 2.62 2.41 2.39 1.80 1.69 1.33 1.20 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:y P:x P:x P:x P:x P:x P:y P:y P:z P:y P:x P:z P:z P:z P:y P:y P:y P:x P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">94 66 79 93 90 63 98 62 25 95 64 56 64 56 62 63 98 95 95 25 90 70</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">-9.054</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="17">6.99 6.95 6.78 6.08 5.58 5.43 4.75 4.50 4.44 4.26 3.59 3.16 3.01 2.89 1.59 1.39 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:y P:z P:y P:y P:z P:z P:z P:y P:y P:y P:z P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">53 43 34 35 48 52 49 81 87 23 38 27 38 27 48 81 85</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">-9.044</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">4.88 4.66 4.20 3.90 3.67 2.73 2.68 2.62 2.51 2.35 2.34 2.31 2.00 1.98 1.92 1.81 1.75 1.67 1.61 1.57 1.44 1.43 1.29 1.28 1.25 1.20 1.14 1.14 1.14 1.06 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:y P:y P:x P:z P:y P:x P:z P:y P:y P:x P:x P:x P:z P:z P:z P:x P:y P:y P:x P:y P:z P:z P:x P:z P:y P:y P:x P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</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 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">65 71 80 92 89 56 51 71 25 58 95 66 61 58 59 92 76 73 65 58 83 56 91 71 82 90 78 59 59 78 73 105</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.020</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">326</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">3.39 3.09 2.71 2.66 2.65 2.61 2.40 2.37 2.18 1.95 1.86 1.82 1.74 1.55 1.54 1.53 1.52 1.52 1.52 1.25 1.20 1.09 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:z P:y P:z P:y P:z P:y P:z P:z P:y P:y P:y P:z P:y P:x P:x P:y P:y P:x 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">86 74 48 87 100 45 47 49 41 23 23 71 83 43 41 65 86 50 81 76 50 80 73 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.012</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="30">4.38 2.78 2.41 2.41 2.07 2.05 1.94 1.84 1.78 1.74 1.73 1.58 1.55 1.49 1.43 1.42 1.41 1.37 1.36 1.32 1.27 1.26 1.25 1.19 1.15 1.13 1.11 1.04 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z P:y P:y P:y P:y P:y P:y P:x P:x P:z P:x P:y P:z P:y P:y P:x P:y P:z P:y P:z P:x P:x P:x P:z P:z 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">74 23 71 80 73 83 49 79 65 46 48 76 82 43 87 90 59 78 47 75 36 57 92 28 45 92 45 50 49 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.989</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="20">8.16 7.62 5.50 4.63 4.52 3.90 3.67 3.12 2.80 2.46 1.94 1.89 1.65 1.33 1.29 1.22 1.12 1.07 1.06 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:x P:z P:x P:z P:x P:z P:z P:x P:y P:y P:x P:x P:y P:y 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">46 36 28 57 100 44 97 42 46 28 77 96 36 26 85 42 97 96 79 100</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.897</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="36">4.97 4.25 3.49 3.30 2.70 2.63 2.37 2.37 2.33 2.32 2.10 2.10 2.03 1.87 1.86 1.74 1.66 1.58 1.57 1.53 1.47 1.41 1.37 1.34 1.32 1.26 1.15 1.15 1.14 1.14 1.14 1.12 1.12 1.09 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:z P:x P:y P:x P:y P:x P:y P:y P:z P:z P:y P:z P:x P:x P:x P:z P:z P:z P:y P:z P:z P:y P:z P:z P:y P:y P:x P:y P:z P:x P:x P:z P:y P:y P:y P:x</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">84 70 76 83 69 25 99 59 101 68 93 91 56 58 64 60 72 51 80 88 98 56 61 89 92 63 71 60 94 62 91 71 67 65 90 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.884</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="36">3.56 3.26 2.80 2.79 2.70 2.59 2.49 2.41 2.38 2.33 2.26 2.24 1.99 1.91 1.83 1.83 1.81 1.80 1.73 1.66 1.64 1.62 1.54 1.35 1.35 1.32 1.31 1.20 1.19 1.17 1.17 1.11 1.04 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:y P:y P:z P:x P:z P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x P:y P:z P:z P:y P:z P:z P:x P:x P:z P:z P:y P:z P:x P:y 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">97 26 49 23 31 57 44 37 37 29 35 85 34 52 36 96 33 77 32 100 53 85 46 24 24 28 30 54 87 54 42 38 42 48 55 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.783</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="27">6.11 5.72 4.37 3.90 3.50 3.36 3.18 3.13 2.74 2.17 2.04 1.99 1.86 1.82 1.80 1.66 1.58 1.52 1.44 1.40 1.30 1.27 1.15 1.07 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:x P:z P:z P:z P:z P:x P:y P:z P:z P:x P:z D:yz P:x P:z P:x P:z P:x P:z P:x P:y P:x P:y D:xz 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 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">89 84 70 74 66 71 63 72 70 84 91 60 82 105 71 90 61 79 73 73 69 94 80 78 17 59 82</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O Tc O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.761</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">332</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.86 6.12 5.24 3.27 3.23 2.74 2.58 2.28 2.27 2.21 2.17 2.05 1.86 1.79 1.79 1.75 1.72 1.70 1.64 1.61 1.57 1.55 1.47 1.36 1.29 1.19 1.17 1.16 1.13 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:y P:x P:y P:x P:z P:y P:y P:y P:x P:x P:z P:z P:y P:y P:x P:y P:y P:y P:x P:y D:x2-y2 P:z P:y P:z P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">37 85 45 100 46 81 26 41 77 47 43 53 45 86 42 85 37 48 96 50 34 87 6 54 100 33 57 81 54 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.719</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="27">7.39 6.37 4.97 3.67 3.57 3.17 3.13 2.98 2.46 2.29 1.91 1.91 1.82 1.72 1.71 1.69 1.69 1.65 1.55 1.40 1.39 1.30 1.16 1.13 1.12 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:y P:x D:z2 P:x D:z2 P:y P:x P:y D:yz P:x P:z P:x P:z D:xy P:x D:xz P:y P:x D:xz P:x P:y P:z P:y P:y P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">58 69 13 99 9 70 72 51 105 58 93 65 61 13 68 16 94 51 10 71 71 94 61 92 101 92 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O W O O O Tc O O O O W O W O O W O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">334</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.22 5.52 5.26 4.49 3.23 2.99 2.63 2.23 2.15 2.12 2.07 2.02 1.90 1.88 1.88 1.79 1.70 1.65 1.63 1.57 1.55 1.34 1.29 1.27 1.24 1.09 1.08 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:x D:yz P:x P:z P:z D:x2-y2 D:xy P:x D:xy P:z P:z P:x P:x P:x P:y D:x2-y2 D:yz P:x D:xy P:z P:x P:z P:y P:z P:z P:z D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -6.681 -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 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.00 1.33 1.33 1.33 1.00 0.80 1.33 1.00 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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">101 72 105 68 62 65 105 15 62 105 71 64 71 65 84 62 8 8 89 11 58 70 66 92 63 99 92 14 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O Tc O O O Tc W O Tc O O O O O O W W O W O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.680</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="26">7.89 5.75 4.39 3.80 3.51 2.94 2.82 2.81 2.71 2.52 2.50 2.28 2.19 1.92 1.91 1.74 1.70 1.60 1.53 1.50 1.38 1.38 1.33 1.26 1.20 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y D:xy D:xy P:z P:y P:z P:y P:y D:xz P:z P:z P:z P:x P:z P:y D:xz P:x P:x P:y D:z2 P:y P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -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 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">42 46 22 4 33 36 77 28 24 5 96 30 24 52 54 33 21 85 34 54 5 44 30 85 35 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W W O O O O O W O O O O O 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">-8.584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.64 3.48 2.78 2.77 2.66 2.61 2.48 2.42 2.42 2.40 2.26 2.08 1.99 1.86 1.70 1.66 1.63 1.62 1.48 1.38 1.32 1.30 1.28 1.18 1.16 1.12 1.10 1.05 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:y P:x P:y P:y P:y P:x P:z P:y P:y P:x P:z P:z P:x P:x P:z P:x P:z P:x P:z P:y P:z P:z P:y P:x D:xy P:y 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 -6.681 -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 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">74 78 84 70 79 61 51 99 83 90 65 69 98 71 56 60 82 82 67 88 74 40 84 62 64 61 104 92 63 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O Tc O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.554</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.84 3.24 2.70 2.63 2.54 2.53 2.38 2.09 2.07 2.06 1.78 1.77 1.59 1.50 1.45 1.37 1.37 1.36 1.34 1.29 1.29 1.27 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:y P:x P:x P:z P:z P:x P:z P:y P:y P:z P:x P:z P:z P:z P:z P:x P:z P:z P:z P:x P:x P:y P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">47 37 35 96 100 36 50 54 91 77 23 85 30 32 93 53 46 28 87 38 88 51 48 100 46</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">-8.528</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="25">6.38 5.09 4.70 4.46 2.98 2.97 2.79 2.26 2.24 1.93 1.69 1.63 1.57 1.53 1.46 1.43 1.36 1.30 1.26 1.07 1.05 1.04 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:y P:z P:y P:z P:z P:y D:xz D:xy D:xy D:xz P:z P:x P:z P:y P:z D:xy P:y P:z D:xz D:xz P:y P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -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 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">91 65 51 59 93 61 12 15 11 7 98 37 76 98 92 7 65 69 16 10 101 93 99 68 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W W W W O O O O O W O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.510</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">339</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.43 6.35 5.12 4.27 3.51 3.08 2.77 2.60 2.54 1.75 1.67 1.64 1.62 1.57 1.53 1.47 1.39 1.34 1.26 1.23 1.22 1.10 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:z P:x P:y P:x P:z D:xz P:z P:y P:x D:xz P:x P:y P:y D:z2 P:y D:xy D:yz P:x D:z2 P:y P:z D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -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 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">36 52 26 26 57 34 96 1 77 31 35 18 96 97 30 20 46 18 3 77 2 28 29 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W O O O W O O O W O W W O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">340</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.82 3.33 3.05 2.12 1.97 1.80 1.80 1.77 1.75 1.61 1.61 1.57 1.43 1.40 1.37 1.33 1.31 1.25 1.21 1.19 1.18 1.16 1.13 1.12 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:y P:z P:x P:x P:x P:z P:x P:z P:x P:y P:x P:y P:x P:y P:x P:x P:y P:y P:z P:z P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">37 28 96 27 49 100 45 47 24 82 57 89 47 97 41 38 55 58 96 43 84 45 41 35 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.459</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.06 3.30 3.09 3.04 2.51 2.43 2.29 2.21 2.04 1.81 1.71 1.70 1.67 1.62 1.61 1.58 1.51 1.41 1.38 1.36 1.35 1.34 1.32 1.27 1.11 1.11 1.10 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:z P:x P:y P:x P:y P:z P:y P:z D:xy P:y P:x P:z P:x P:y P:z P:y P:x P:x P:x P:x P:y P:z P:z P:z P:y P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">50 41 39 41 50 81 54 53 49 104 33 29 85 47 55 34 36 78 87 35 48 39 48 86 38 37 85 31 86 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O Tc O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.444</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">342</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.27 3.70 3.25 2.97 2.75 2.66 2.51 2.32 2.15 2.15 2.06 1.82 1.79 1.67 1.64 1.58 1.57 1.55 1.42 1.37 1.18 1.18 1.17 1.14 1.13 1.13 1.10 1.08 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:x P:x P:z P:z P:x P:y P:x P:x P:x P:x P:z P:y P:z P:z P:x P:y P:y P:z P:y P:x P:y P:x P:y P:z P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 75 78 64 78 84 90 75 82 80 79 70 82 95 66 79 89 73 76 94 63 63 69 37 89 101 80 25 88 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.416</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="21">8.66 4.39 3.47 3.16 3.08 2.50 2.34 2.14 1.88 1.82 1.46 1.21 1.20 1.19 1.17 1.16 1.14 1.07 1.07 1.06 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 P:z P:y P:y P:z P:y P:x P:z P:x P:x P:x P:y P:x P:y P:x P:y P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">104 31 46 36 42 31 27 96 34 53 24 75 47 57 26 29 75 67 51 35 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.371</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="28">2.90 2.80 2.66 2.18 2.01 1.97 1.95 1.86 1.68 1.60 1.59 1.58 1.54 1.41 1.37 1.36 1.35 1.31 1.27 1.25 1.23 1.18 1.15 1.12 1.11 1.10 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:y P:x P:x P:x P:z P:x P:x P:x P:y P:y P:y P:z P:x P:x P:x P:x P:z P:z P:z P:z P:y D:xy P:x 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 -6.681 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">47 100 74 100 50 96 50 67 82 97 41 78 75 40 23 78 55 39 32 51 44 66 87 104 52 25 82 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 O O O O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">345</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.93 4.92 4.07 4.01 3.38 2.89 1.92 1.65 1.36 1.36 1.29 1.23 1.21 1.21 1.20 1.19 1.15 1.13 1.12 1.09 1.08 1.05 1.05 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:z P:x P:x P:x P:z P:z P:z P:x P:z P:z P:y D:xy P:y P:x P:x P:x P:y P:x P:z P:x P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -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 1.00 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="25">75 39 50 78 39 27 46 56 24 87 90 41 40 104 28 66 25 37 49 71 55 80 50 81 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O Tc O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.326</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="33">4.94 3.61 3.34 2.89 2.88 2.85 2.23 2.18 2.11 1.96 1.93 1.89 1.89 1.80 1.71 1.69 1.58 1.57 1.53 1.45 1.35 1.34 1.31 1.26 1.24 1.23 1.23 1.21 1.17 1.14 1.11 1.10 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 P:z P:y P:y P:x P:x P:y P:x P:z P:y P:y P:y P:x P:y P:x P:y P:y P:z P:z P:z P:x P:z P:x P:z P:z P:z P:y P:z P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">74 82 73 73 78 50 47 75 97 41 80 66 67 76 93 82 76 41 88 56 89 86 47 56 100 95 78 59 39 25 76 80 23</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">-8.315</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="31">3.87 3.85 3.79 3.22 2.92 2.88 2.62 2.46 2.23 1.93 1.84 1.82 1.81 1.78 1.59 1.52 1.29 1.27 1.25 1.21 1.20 1.19 1.16 1.15 1.14 1.13 1.10 1.06 1.05 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:y P:x P:z P:z P:x P:x P:z P:y P:z P:z P:z P:y P:x P:z P:x P:y P:z P:y P:x P:x P:z P:y P:y P:z P:y P:z P:y P:z 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">47 75 50 41 39 82 97 47 41 45 73 23 73 86 43 49 25 100 80 39 32 82 32 67 78 39 88 66 55 89 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.269</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">6.39 4.91 3.12 2.93 2.48 2.48 2.45 2.25 1.93 1.69 1.67 1.56 1.54 1.53 1.52 1.48 1.35 1.15 1.15 1.14 1.10 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:y P:z P:y P:y P:y P:z P:z P:x P:y P:z P:z P:x P:y P:z P:x P:x P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">70 73 85 84 24 41 99 68 98 97 35 30 72 31 76 85 37 81 34 66 93 75 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">349</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.77 4.51 3.57 3.01 2.66 2.28 2.19 2.16 2.09 1.90 1.88 1.66 1.51 1.40 1.34 1.26 1.22 1.22 1.22 1.21 1.19 1.16 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:y P:y P:y P:y P:z P:y P:z P:z P:z P:z P:z P:x P:x P:y P:z P:z P:z P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">70 73 41 85 35 99 85 24 30 34 84 98 41 45 62 27 44 33 27 52 37 31 97 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.187</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="25">6.67 5.40 5.18 4.60 4.11 3.62 3.45 3.05 2.90 2.80 2.24 1.96 1.84 1.84 1.82 1.80 1.74 1.67 1.60 1.48 1.30 1.18 1.16 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:z P:z P:x P:z P:x P:z P:y P:y P:z P:y P:y P:x P:y P:x P:y P:x P:z P:y P:y P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">51 99 61 60 58 101 76 84 76 74 66 69 59 64 60 61 63 51 65 65 73 68 25 98 80</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">-8.173</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="24">5.80 4.83 4.82 3.32 3.27 3.24 2.55 2.42 2.41 2.37 2.26 2.03 1.94 1.89 1.61 1.60 1.58 1.50 1.38 1.25 1.18 1.09 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:x P:x P:y P:y P:z P:x P:y P:y P:y P:y P:z P:z P:x P:z P:y P:x P:x P:y 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">68 92 83 71 69 76 60 70 59 94 65 60 94 71 65 101 58 56 61 99 29 65 73 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">-8.163</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">352</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="31">9.00 4.27 3.87 3.36 3.09 2.89 2.66 2.09 2.04 1.97 1.91 1.78 1.77 1.69 1.60 1.54 1.52 1.50 1.46 1.43 1.37 1.29 1.14 1.11 1.09 1.09 1.08 1.07 1.07 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 P:z P:y P:y P:z P:x P:z P:y P:x P:x P:y P:z P:y P:z P:z P:z 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:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">29 34 24 35 30 54 33 54 31 30 33 68 29 41 38 52 96 38 42 27 24 53 69 27 37 100 77 34 30 33 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.145</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">353</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.87 5.82 5.67 5.62 5.37 4.56 3.40 3.19 2.99 2.53 2.35 2.09 1.88 1.81 1.68 1.61 1.53 1.52 1.50 1.49 1.41 1.39 1.38 1.25 1.23 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:y P:z P:x P:z P:z P:x P:y P:z P:x P:y P:z P:y P:y P:z P:y P:x P:z P:y P:y P:z P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">36 96 77 44 97 28 57 28 26 46 42 24 37 53 85 34 97 37 55 44 42 85 46 77 32 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.126</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="18">8.88 8.63 3.07 2.37 2.30 2.22 2.03 1.92 1.87 1.53 1.49 1.42 1.30 1.25 1.19 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y P:z P:x P:z P:y P:x P:x P:y P:x P:z P:y P:z P:y P:z P:y 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 -9.089 -9.089 -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">83 74 100 67 44 93 62 63 73 58 95 63 52 53 32 66 65 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.117</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 3.23 3.03 2.61 2.46 2.37 2.32 2.21 2.01 1.99 1.93 1.72 1.68 1.55 1.46 1.43 1.38 1.35 1.35 1.21 1.19 1.14 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:x P:y P:y P:z P:z P:z P:y P:x P:x P:y P:x P:x P:y P:x P:z P:z P:x P:x P:y 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">100 74 97 53 73 52 41 44 75 71 83 44 43 100 99 88 95 73 63 37 41 66 76 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.093</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.75 3.52 3.10 3.00 2.68 2.56 2.35 2.28 2.24 1.96 1.95 1.87 1.86 1.76 1.63 1.55 1.31 1.29 1.27 1.24 1.22 1.21 1.18 1.16 1.10 1.08 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:z P:y P:x P:x P:x P:z P:z P:z P:y P:x P:y P:z P:x P:y D:z2 P:x P:y P:z P:x P:x D:xy P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">97 75 39 39 88 67 37 46 75 55 77 58 41 41 71 32 105 30 55 25 81 43 104 42 100 49 28 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O Tc O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.052</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="36">5.10 4.56 4.27 3.39 2.88 2.82 2.73 2.45 2.39 2.24 2.09 2.00 1.97 1.89 1.83 1.75 1.70 1.68 1.63 1.63 1.57 1.53 1.39 1.37 1.24 1.22 1.22 1.21 1.20 1.19 1.15 1.11 1.10 1.08 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:y P:z P:x P:x P:x P:z P:x P:z P:z P:x P:z P:z P:x P:x P:x P:x P:y P:x P:y P:z P:y P:x P:x P:y P:x P:y P:x P:x P:y P:x P:z P:x 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">58 94 63 101 71 69 51 88 71 25 72 93 65 78 60 75 80 64 64 63 64 56 56 82 58 63 98 67 68 59 92 62 99 91 90 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.004</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="31">5.08 4.25 4.10 3.87 3.40 3.11 2.76 2.74 2.21 2.17 2.02 1.71 1.70 1.69 1.60 1.59 1.54 1.47 1.45 1.39 1.38 1.33 1.29 1.22 1.21 1.18 1.18 1.16 1.16 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:y P:y P:z P:x P:x P:x P:y P:x P:z P:x P:x P:y P:z P:x P:z P:z P:z P:x P:y P:y P:y P:y P:z P:x P:z 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">46 53 42 54 31 27 96 33 36 34 38 42 38 29 23 24 31 48 35 55 86 26 39 45 49 38 87 52 29 39 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">-7.982</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="25">5.41 3.63 2.66 2.60 2.27 2.20 2.06 1.98 1.93 1.78 1.73 1.69 1.66 1.66 1.58 1.45 1.34 1.32 1.23 1.17 1.11 1.08 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:x P:z P:z P:x P:y P:y P:x P:z P:z P:z P:x P:z P:z P:z P:y P:z P:x P:y P:x 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">62 36 92 72 61 66 65 65 77 43 59 28 95 81 27 56 72 25 82 69 27 47 96 76 78</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">-7.944</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="26">3.51 2.60 2.51 2.40 2.31 2.19 2.07 2.04 1.94 1.81 1.78 1.76 1.72 1.68 1.60 1.50 1.47 1.46 1.32 1.21 1.21 1.14 1.09 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 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:x P:z 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:z P:y P:z P:y P:y P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">27 81 62 28 57 27 77 56 83 71 44 24 31 36 34 59 46 23 68 35 97 35 76 38 43 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.907</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="22">4.04 3.04 2.93 2.86 2.71 2.44 2.35 2.22 2.07 2.04 2.03 1.81 1.63 1.61 1.60 1.44 1.30 1.19 1.13 1.11 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:y P:z P:x P:y P:y P:z P:y P:x P:z P:x P:z P:y P:y P:y P:z P:x P:y P:x 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">74 78 99 44 58 70 95 83 89 83 100 43 82 91 51 25 68 91 42 80 30 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.872</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">362</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.93 3.80 3.56 3.50 3.01 2.72 2.51 2.50 2.45 2.35 2.24 2.08 1.70 1.59 1.51 1.51 1.40 1.31 1.26 1.23 1.18 1.16 1.07 1.06 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:z P:y P:y P:x P:z P:z P:z P:y P:z P:z P:z P:y P:y P:z P:x P:z P:y P:x P:x P:y P:z 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">44 88 51 47 55 43 96 100 50 78 83 34 82 95 85 86 50 24 53 85 44 43 40 55 97 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.838</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="22">5.33 4.05 3.44 3.26 3.25 2.88 2.44 1.70 1.59 1.52 1.49 1.46 1.33 1.17 1.15 1.12 1.12 1.11 1.10 1.07 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">P:x P:y P:x P:x P:z P:y P:z P:x P:x P:z P:y P:z P:x P:y P:y P:y P:y P:x P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">36 40 40 96 32 65 40 35 67 67 89 46 52 91 70 25 42 55 30 56 51 24</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">-7.813</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="30">9.32 5.28 4.88 3.70 3.31 2.87 2.82 2.38 2.34 2.33 2.13 2.04 1.97 1.91 1.85 1.61 1.56 1.55 1.55 1.39 1.27 1.24 1.21 1.17 1.16 1.14 1.13 1.11 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:z P:x P:z P:z P:y P:x P:x P:z P:y P:y P:y P:x P:z P:y P:y P:x P:x P:x P:x P:z P:x P:z P:x P:z 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">64 72 66 62 94 90 69 73 90 92 79 95 61 79 101 90 63 70 95 63 88 61 67 84 94 60 66 79 68 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.802</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="35">2.95 2.54 2.53 2.17 2.11 1.98 1.89 1.84 1.80 1.73 1.62 1.58 1.55 1.54 1.49 1.47 1.42 1.42 1.41 1.37 1.31 1.30 1.27 1.26 1.26 1.21 1.20 1.20 1.16 1.15 1.15 1.08 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:x P:x P:y P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z P:x P:z P:z P:y P:y P:x P:x P:x P:y P:z P:z P:x P:z P:x P:z P:x P:z P:x P:z 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">38 70 83 38 81 25 68 31 31 33 87 58 71 54 53 94 84 88 24 87 81 34 95 52 90 77 67 43 27 99 48 25 34 83 66</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">-7.800</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="34">3.30 2.73 2.64 2.35 2.27 2.00 1.99 1.90 1.76 1.68 1.65 1.51 1.47 1.44 1.43 1.42 1.40 1.39 1.31 1.28 1.28 1.27 1.22 1.18 1.17 1.16 1.12 1.08 1.07 1.06 1.05 1.03 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:y P:z P:z P:y P:y P:x P:y P:y P:z P:x P:y P:y P:x P:x P:y P:z P:z P:z P:z P:y P:z P:y P:x P:x P:y P:x P:y P:x P:z P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">83 95 25 38 58 99 70 88 38 31 88 31 33 43 53 87 68 71 54 81 79 67 63 95 25 98 99 76 65 84 98 52 32 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.775</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="32">5.31 3.87 3.35 3.24 3.02 2.87 2.75 2.75 2.75 2.67 2.65 2.53 2.43 2.38 2.38 2.38 2.29 2.27 2.18 2.16 2.06 1.80 1.76 1.71 1.66 1.63 1.50 1.40 1.20 1.18 1.12 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:y P:y P:x P:x P:x P:y P:z P:x P:y P:y P:z P:z P:x P:x P:y P:z P:x P:x P:z P:z P:y P:x P:x P:x P:y P:x P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">44 34 53 43 42 30 43 30 24 49 85 55 49 32 97 23 42 46 48 55 81 37 24 85 87 36 35 53 96 37 44 96</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">-7.760</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="29">5.36 4.73 4.16 3.89 3.72 3.51 3.22 3.06 2.77 2.62 2.60 2.53 2.38 2.21 2.21 2.04 1.78 1.64 1.55 1.54 1.42 1.38 1.30 1.29 1.28 1.24 1.20 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:z P:y P:z P:z P:x P:y P:y P:y P:z P:y P:y P:y P:x P:z 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: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 79 101 69 83 80 89 70 89 59 93 98 79 93 98 91 90 80 94 51 90 56 65 25 79 95 56 63 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">-7.754</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">6.25 5.22 4.96 3.94 3.94 3.82 3.60 3.15 3.08 2.97 2.87 2.76 2.36 2.25 2.25 2.04 1.84 1.67 1.67 1.66 1.59 1.57 1.51 1.49 1.43 1.32 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:z P:y P:y P:y P:z P:z P:y P:x P:z P:z P:y P:z P:y P:x P:z P:x P:y P:y P:x P:y P:z P:y P:z P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">52 35 87 26 48 49 48 45 86 87 23 57 45 54 33 48 33 36 87 44 96 54 44 85 35 86 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.716</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">6.42 6.05 6.04 4.22 3.88 3.61 3.53 3.22 2.99 2.97 2.69 2.53 2.41 2.28 2.20 2.12 2.02 1.99 1.97 1.86 1.59 1.40 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:z P:x P:y P:z P:x P:y P:x P:x P:y P:z P:x P:y P:z P:y P:x P:z P:x P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">60 72 67 56 88 64 68 72 71 58 56 25 99 93 98 64 92 71 25 61 59 61 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">-7.703</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="30">7.86 6.35 6.19 5.87 5.41 3.01 2.17 2.04 1.81 1.79 1.78 1.77 1.69 1.68 1.63 1.62 1.57 1.46 1.41 1.27 1.25 1.19 1.14 1.13 1.11 1.08 1.07 1.05 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:y P:z P:y P:z P:y P:y P:y P:y P:z P:z P:y P:z P:y P:z P:y P:y P:x P:x P:x P:x P:y P:z P:x P:y P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">62 64 66 95 62 80 84 58 89 61 63 60 60 71 25 76 94 51 59 60 91 83 70 65 90 74 56 88 89 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">-7.688</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="24">6.74 4.54 4.42 4.21 3.40 3.24 3.18 3.16 2.90 2.74 2.71 2.63 2.33 2.27 2.02 1.74 1.55 1.35 1.32 1.30 1.24 1.20 1.19 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:z P:x P:y P:z P:y P:y P:z P:z P:x P:x P:y P:z P:y P:z P:x P:z P:y P:y P:x 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">31 23 46 38 55 29 23 32 49 30 55 96 29 77 28 24 53 32 24 42 34 64 52 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">-7.676</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">373</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.02 6.64 6.45 6.22 5.62 2.78 2.45 2.36 1.97 1.94 1.82 1.74 1.64 1.57 1.57 1.49 1.48 1.39 1.35 1.32 1.29 1.28 1.05 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:z P:y P:x P:z P:z P:y P:x P:z P:x P:y P:y P:y P:x P:y P:x P:x P:y P:y P:y 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">43 81 27 38 38 81 34 49 27 31 86 45 77 23 26 37 55 29 96 29 45 53 57 48 55</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">-7.663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">374</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.90 7.62 4.02 3.58 3.32 2.97 2.74 2.36 2.27 1.74 1.74 1.73 1.71 1.71 1.66 1.63 1.56 1.41 1.40 1.37 1.27 1.15 1.11 1.10 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:y P:x P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:y P:x P:z P:y P:y P:z P:y P:y 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">32 36 40 67 88 96 55 40 51 65 84 76 65 81 92 31 96 63 55 98 66 53 47 42 38 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.653</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">375</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">6.93 5.36 4.64 3.97 3.42 3.19 3.07 2.88 2.62 2.32 2.09 2.08 2.07 2.04 2.01 1.89 1.73 1.72 1.62 1.49 1.43 1.43 1.42 1.32 1.32 1.27 1.22 1.12 1.09 1.03 1.02 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:y P:y P:z P:y P:y P:y P:z P:x P:y P:z P:z P:x P:y P:y P:z P:y P:y P:x P:z P:z P:y P:z P:z P:z P:x P:y P:y P:z P:y P:y P:y P:x</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">84 58 61 71 76 92 91 76 36 63 32 51 76 70 59 92 65 93 96 59 55 40 40 94 98 83 88 66 84 95 71 75 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.646</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">5.49 3.92 3.62 2.91 2.91 2.54 2.53 2.31 2.16 2.11 2.09 2.01 1.96 1.93 1.84 1.65 1.59 1.51 1.42 1.41 1.26 1.25 1.20 1.19 1.17 1.07 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:y P:x P:z P:z P:x P:y P:z P:z P:x P:x P:y P:x P:z P:z P:x P:x P:y P:z P:y P:z P:y P:y P:z P:z P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 99 67 68 68 66 72 24 67 62 63 29 60 94 64 63 72 55 99 80 89 32 95 65 51 60 58 66</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">-7.629</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">8.60 7.76 3.96 3.83 3.53 3.31 3.27 3.13 2.70 2.70 2.67 2.55 2.47 2.41 2.20 1.76 1.74 1.66 1.60 1.43 1.36 1.31 1.23 1.19 1.18 1.11 1.10 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z P:z P:y P:z P:z P:y P:x P:x P:z P:y P:y P:y P:z P:z P:x P:y P:y P:y P:y P:y P:z P:z P:x P:z P:y P:z 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">97 37 77 46 85 42 44 53 42 28 28 57 77 81 26 37 26 42 30 53 37 97 38 52 57 35 46 48 24</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">-7.621</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">378</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.76 4.06 3.55 3.20 2.79 2.38 2.10 2.00 1.84 1.84 1.78 1.72 1.63 1.52 1.51 1.44 1.37 1.33 1.32 1.32 1.24 1.24 1.15 1.06 1.06 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:y P:z P:z P:z P:x P:x P:x P:x P:z P:x P:z P:x P:z P:y P:x P:z P:z P:x P:x P:x P:x P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">66 29 32 55 24 95 64 87 61 30 94 53 92 48 61 63 34 27 98 62 49 24 31 92 90 45 63 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.609</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="29">4.76 4.02 3.79 3.76 3.16 3.07 2.78 2.55 2.48 2.43 2.41 2.32 2.28 2.01 1.88 1.88 1.87 1.79 1.78 1.70 1.69 1.50 1.33 1.18 1.13 1.13 1.12 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:z P:y P:z P:y P:y P:x P:x P:x P:y P:y P:y P:z P:y P:y P:x P:z P:z P:z P:z P:y P:x P:y P:x P:y 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">56 64 72 25 60 72 66 82 62 73 88 94 75 62 62 60 31 82 75 91 80 59 29 99 58 73 80 89 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.604</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="28">4.66 3.36 3.26 3.22 2.82 2.65 2.57 2.55 2.47 2.20 2.13 2.00 1.71 1.61 1.61 1.51 1.41 1.30 1.29 1.20 1.19 1.17 1.14 1.12 1.06 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:y P:x P:x P:y P:x P:x P:x P:x P:x P:z P:z P:x P:y P:y P:y P:z P:z P:y P:x P:x P:y P:z P:z P:x 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">72 72 88 88 67 66 27 53 61 81 34 67 61 87 78 32 69 55 92 28 92 31 61 81 95 36 55 38</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">-7.588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">381</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.92 2.74 2.63 2.48 2.20 2.17 2.05 1.90 1.89 1.73 1.72 1.72 1.70 1.56 1.55 1.52 1.47 1.41 1.30 1.27 1.15 1.07 1.05 1.04 1.03 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:x P:y P:y P:z P:x P:y P:x P:x P:x P:x P:y P:z P:z P:x P:x P:z P:y P:z P:x P:z P:x P:z P:y P:x 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">81 67 37 32 77 72 50 23 85 27 90 67 99 86 87 47 87 41 30 34 78 52 82 81 72 77 53 66 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 O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.586</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="31">5.62 4.32 3.95 3.68 3.03 2.57 2.42 2.24 2.16 1.82 1.82 1.69 1.57 1.54 1.50 1.48 1.47 1.46 1.42 1.20 1.17 1.15 1.10 1.09 1.07 1.06 1.06 1.05 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:z P:x P:x P:z P:y P:y P:x P:z P:z P:z P:x P:z P:x P:x P:y P:y P:x P:x P:z P:x P:z P:z P:x P:z P:y P:z P:y P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">95 79 78 68 88 99 82 83 94 76 90 63 83 81 94 75 89 70 78 58 82 75 71 79 76 71 73 84 68 27 80</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">-7.578</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="31">5.22 4.26 3.78 3.77 3.71 3.60 3.29 3.17 2.63 2.62 2.53 2.07 1.90 1.65 1.65 1.53 1.49 1.48 1.46 1.37 1.35 1.33 1.14 1.14 1.13 1.09 1.09 1.09 1.07 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z P:x P:x P:x P:x P:z P:y P:z P:x P:z P:z P:x P:z P:z P:y P:y P:z P:z P:y P:z P:x P:x P:y P:x P:x P:z P:y 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">43 34 48 47 43 97 55 28 44 31 48 50 27 86 30 53 33 49 46 38 57 44 55 35 52 28 24 34 35 85 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">384</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.14 7.39 5.54 3.76 3.75 3.73 3.41 3.09 2.63 2.60 2.26 2.25 2.05 1.93 1.63 1.59 1.51 1.35 1.35 1.34 1.17 1.16 1.13 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:z P:x P:x P:x P:y P:y P:x P:x P:y P:x P:y P:z P:y P:y P:x P:z P:y P:z P:y P:z 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">31 32 55 49 39 50 53 31 29 36 27 23 41 46 45 26 27 27 25 87 39 56 96 41</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">-7.548</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">385</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.71 7.03 5.96 4.40 4.18 3.01 2.85 2.81 2.78 2.55 2.50 2.31 2.18 2.15 2.08 1.94 1.90 1.80 1.74 1.70 1.57 1.57 1.41 1.41 1.35 1.35 1.23 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:x P:y P:x P:x P:y P:y P:z P:z P:x P:y P:z P:z P:z P:y P:z P:x P:x P:y P:z P:x P:x P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">79 25 90 93 98 56 98 56 98 66 61 89 101 56 61 94 93 78 101 69 80 69 60 62 90 68 88 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.542</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="28">9.38 9.21 7.92 6.62 4.62 3.78 3.36 3.25 2.88 2.65 2.42 2.36 2.23 1.82 1.69 1.62 1.42 1.38 1.37 1.34 1.29 1.21 1.21 1.15 1.11 1.07 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:y P:z P:x P:z P:z P:y P:z P:y P:y P:x P:y P:z P:z P:y P:z P:x P:x P:z P:x P:z P:y P:z P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">52 23 35 49 87 48 87 86 33 54 48 54 77 24 34 87 29 49 81 50 48 55 27 77 27 45 29 53</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">-7.538</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="25">5.91 5.48 5.34 4.70 4.61 4.61 4.45 4.25 4.11 3.96 3.74 3.48 2.74 2.33 2.23 1.86 1.84 1.76 1.75 1.73 1.70 1.46 1.35 1.32 1.26</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:y P:y P:y P:y P:x P:x P:z P:z P:z P:x P:z P:y P:z P:z P:x P:x P:z P:z P:z 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">90 69 82 99 92 93 75 92 67 95 56 80 71 75 78 92 68 58 69 61 82 25 93 78 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.530</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">7.64 5.10 4.16 3.78 3.32 3.26 3.12 3.02 3.01 2.53 2.34 2.32 2.21 2.18 2.10 2.07 1.99 1.72 1.61 1.59 1.42 1.33 1.23 1.09 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:y P:y P:z P:y P:z P:z P:x P:x P:y P:z P:x P:z P:x P:y P:x P:z P:z P:y P:z P:y P:y P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">101 69 33 89 45 86 33 79 54 89 35 54 87 52 48 54 80 90 91 39 39 79 101 49 25 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.529</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="25">7.54 5.11 4.84 4.67 3.72 3.71 3.28 3.25 2.88 2.86 2.57 2.42 2.41 2.38 1.92 1.75 1.54 1.51 1.49 1.31 1.28 1.24 1.22 1.11 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:x P:y P:x P:z P:z P:x P:x P:y P:x P:y P:z P:z P:z P:z P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">101 33 69 45 89 33 48 86 54 79 54 89 87 35 80 54 52 90 91 49 39 79 101 39 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">-7.521</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="27">6.68 5.18 5.11 4.96 4.70 4.63 4.28 3.73 3.17 3.16 2.99 2.78 2.74 2.63 2.46 2.13 2.09 2.03 1.93 1.82 1.80 1.75 1.56 1.42 1.23 1.16 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:x P:z P:y P:z P:y P:x P:x P:y P:x P:z P:x P:x P:y P:x P:z P:y P:z P:y P:z P:y P:z P:y P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">47 43 28 32 50 77 48 23 24 28 46 49 81 28 30 39 39 55 30 30 42 45 48 26 87 33 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.505</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.44 6.79 6.25 5.32 4.32 2.95 2.78 2.70 2.61 2.29 2.12 1.81 1.80 1.67 1.51 1.43 1.40 1.37 1.37 1.27 1.22 1.20 1.15 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:z P:z P:z P:x P:y P:z P:y P:y P:y P:z P:y P:y P:z P:z P:x P:y P:y 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 -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">89 69 80 101 90 64 90 79 79 92 95 68 66 88 60 67 87 94 86 95 63 48 99 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">-7.499</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="25">6.53 4.85 4.43 4.14 3.74 3.15 2.89 2.74 2.74 2.64 2.09 2.08 2.01 2.01 1.95 1.83 1.79 1.69 1.43 1.30 1.25 1.22 1.22 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:x P:z P:x P:x P:z P:x P:y P:z P:y P:y P:y P:x P:z P:y P:z P:x P:z P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">86 33 54 87 45 48 45 81 29 43 28 53 87 89 54 32 69 80 43 38 34 101 24 86 45</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">-7.474</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="20">15.69 11.35 8.76 5.84 5.38 3.59 3.54 3.32 3.25 2.67 2.67 2.54 2.28 2.15 2.00 1.95 1.45 1.17 1.16 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:x P:x P:x P:y P:z P:y P:x P:x P:z P:z P:x P:x P:z P:y P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">91 89 91 73 25 25 98 98 64 73 98 79 82 95 78 82 61 78 61 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.468</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="16">20.95 10.97 8.82 8.30 7.42 4.54 3.48 3.42 2.64 2.19 2.12 1.54 1.48 1.43 1.38 1.23</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:y P:y P:x P:y P:x P:y P:y P:z P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 49 45 41 35 26 47 50 45 77 48 29 97 45 38 38</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">-7.456</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="18">21.81 14.44 8.19 6.27 4.32 4.03 2.87 2.77 2.55 2.43 2.31 2.25 2.10 1.94 1.32 1.24 1.14 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:y P:x P:z P:x P:y P:y P:x P:z P:y P:z P:x P:y P:x P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">59 80 56 59 73 93 73 82 78 93 64 92 90 56 66 59 78 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">-7.451</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="15">17.55 10.72 10.20 6.97 6.45 6.09 5.72 2.69 2.34 2.20 1.93 1.46 1.43 1.43 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:x P:x P:z P:y P:z P:z P:z P:x P:x P:z P:y P:y P:z 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">57 23 57 41 86 52 86 50 47 86 28 87 57 38 28</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">-7.324</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">7.60 6.44 6.25 5.96 5.55 4.36 3.54 3.30 2.78 2.39 2.34 2.34 2.03 2.00 1.79 1.79 1.54 1.34 1.22 1.13 1.13 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:x P:y P:z P:y P:y P:y P:y P:x P:y P:y P:x P:x P:z P:z P:z P:x P:y P:z P:x 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">101 98 68 51 63 84 70 58 93 69 94 99 58 71 65 76 93 99 88 67 35 33 52 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">-7.288</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="40">4.80 4.67 3.38 3.21 3.02 2.87 2.70 2.57 2.50 2.42 2.39 2.36 2.22 2.22 2.17 2.06 2.03 2.01 1.97 1.93 1.46 1.37 1.35 1.34 1.31 1.30 1.30 1.26 1.22 1.17 1.13 1.13 1.12 1.09 1.09 1.05 1.01 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="40">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="40">P:y P:y P:y P:z P:x P:x P:x P:y P:x P:y P:x P:z P:y P:x P:y P:z P:y P:z P:x P:z P:z P:y P:z P:x P:x P:z P:y P:z P:z P:y P:x P:x P:z P:z P:z P:x P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="40"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="40">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="40">84 70 51 63 35 69 101 24 68 58 99 42 94 53 33 98 83 76 52 94 83 76 54 94 93 93 71 33 30 65 98 83 65 71 96 96 46 70 85 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="40">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.281</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">399</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.53 4.01 3.99 3.96 3.78 3.73 3.70 3.58 3.24 3.23 3.06 2.84 2.59 2.54 2.25 2.09 1.99 1.92 1.72 1.67 1.65 1.63 1.30 1.22 1.17 1.11 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:x P:y P:z P:z P:x P:y P:x P:y P:x P:y P:z P:z P:x P:z P:x P:z P:z P:x P:x P:z P:z P:y P:x P:z 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">35 42 69 24 65 76 53 94 99 33 71 93 93 83 96 85 83 33 96 52 37 94 71 83 93 68 53 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">-7.262</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="20">8.48 7.87 7.57 5.73 5.18 4.22 3.92 3.36 3.29 3.10 2.91 2.55 2.54 1.99 1.98 1.70 1.31 1.31 1.12 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:z P:y P:x P:z P:x P:x P:y P:y P:x P:y P:z P:y P:y P:z P:z P:x P:y 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">65 51 68 98 99 71 93 99 58 58 76 84 70 93 83 83 94 71 68 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.259</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="22">11.60 8.56 6.32 6.04 5.57 5.33 4.53 4.02 2.95 2.82 2.81 2.17 2.10 2.03 1.98 1.72 1.49 1.43 1.29 1.25 1.21 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:y P:z P:z P:y P:z P:z P:y P:x P:z P:x P:x P:z P:x P:z P:z P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">34 52 44 46 30 54 36 85 97 97 53 36 24 54 37 30 42 96 33 37 65 54</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">-7.235</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="30">16.98 15.25 4.05 3.04 2.84 2.59 2.49 2.24 2.15 2.15 2.04 1.96 1.90 1.88 1.86 1.85 1.79 1.74 1.52 1.52 1.45 1.44 1.32 1.28 1.27 1.23 1.21 1.17 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:y P:z P:z P:x P:y P:z P:x P:z P:z P:x P:y P:x P:x P:y P:x P:z P:z P:y P:z P:y P:y P:z P:y P:y P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">72 60 61 92 63 76 91 83 69 72 62 61 92 101 65 70 84 71 59 51 76 58 62 94 84 98 99 51 65 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.222</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="25">7.84 6.34 6.32 6.18 5.99 5.65 4.83 4.08 3.83 3.71 2.58 2.57 2.26 2.08 1.94 1.91 1.76 1.52 1.48 1.37 1.31 1.25 1.16 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:z P:z P:y P:x P:x P:y P:y P:y P:z P:x P:z P:y P:z P:y P:x P:x P:y P:z P:y P:x P:x P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">30 42 24 35 52 46 44 36 85 96 54 53 96 33 37 36 97 34 35 34 97 32 24 87 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.199</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="19">10.59 9.54 8.74 4.81 4.49 4.47 4.10 3.96 3.93 3.63 3.62 3.28 2.45 2.17 1.93 1.63 1.60 1.19 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:x P:z P:y P:y P:y P:z P:y P:x P:z P:y P:z P:x P:z P:z P:z P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">62 64 91 92 61 62 59 101 61 64 91 64 83 59 60 60 80 94 89</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">-7.194</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">8.68 7.23 6.76 5.22 5.18 4.74 4.72 4.61 4.40 4.14 2.51 2.43 1.97 1.95 1.91 1.79 1.71 1.68 1.66 1.54 1.48 1.41 1.31 1.24 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:x P:y P:y P:y P:y P:x P:z P:y P:z P:x P:z P:z P:y P:x P:x P:z P:x P:z P:y P:y P:y P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">31 29 31 31 36 77 29 29 28 97 96 26 57 26 26 85 53 42 77 37 46 44 57 85 27 49 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.162</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="22">16.62 13.07 8.20 6.97 5.03 3.27 2.96 2.71 2.61 2.11 2.07 1.82 1.76 1.70 1.69 1.62 1.49 1.39 1.32 1.11 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:z P:z P:z P:y P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x P:y P:y P:z P:z P:y P: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">38 27 26 77 27 44 46 77 33 37 57 26 29 44 28 85 28 97 38 28 33 24</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">-7.148</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.14 8.98 8.56 6.70 6.24 5.98 5.69 4.05 2.89 2.78 2.68 2.55 2.20 2.04 1.87 1.63 1.58 1.57 1.44 1.42 1.38 1.29 1.16 1.11 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:x P:y P:x P:y P:z P:z P:x P:y P:y P:y P:x P:x P:y P:z P:y P:y P:y P:z P:z P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">59 92 69 61 101 91 63 94 59 94 63 92 92 99 59 60 70 64 98 93 83 58 60 68 62</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">-7.134</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="34">13.86 12.88 4.95 4.68 4.01 3.78 3.65 3.44 3.16 2.85 2.32 2.19 2.16 2.04 1.83 1.83 1.72 1.71 1.69 1.68 1.55 1.53 1.51 1.51 1.25 1.24 1.22 1.20 1.16 1.15 1.14 1.10 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:y P:x P:z P:z P:x P:z P:z P:y P:y P:y P:z P:z P:z P:y P:x P:y P:z P:x P:z P:y P:y P:x P:y P:y P:z P:x P:y P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">57 28 54 53 77 26 34 33 54 97 44 33 28 42 85 46 77 30 37 26 29 34 53 85 27 36 57 38 29 27 24 52 31 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.937</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">13.35 12.90 8.32 7.56 5.36 4.92 4.90 4.82 4.68 3.57 3.25 2.65 2.53 2.00 1.80 1.74 1.72 1.36 1.26 1.18 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:z P:y P:z P:x P:z P:y P:x P:x P:x P:x P:z P:z P:x P:y P:z P:y P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">84 76 70 83 101 63 94 83 69 68 99 98 93 70 51 65 93 71 58 98 76</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">-6.923</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="23">10.58 8.78 7.50 6.91 5.37 5.08 5.00 4.86 4.35 3.59 3.59 3.29 3.23 3.08 3.07 2.79 2.01 1.96 1.72 1.52 1.28 1.22 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:z P:x P:z P:x P:x P:z P:x P:y P:z P:y P:z P:y P:x P:x P:y P:y P:z P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 97 85 37 37 52 34 54 35 33 30 46 42 24 97 53 53 36 33 85 24 96 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.914</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">411</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.12 7.99 6.69 5.72 5.47 4.95 4.81 4.41 3.49 2.82 2.79 2.67 2.40 2.31 2.04 2.00 1.95 1.73 1.72 1.69 1.66 1.62 1.54 1.53 1.47 1.34 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:y P:z P:z P:y P:x P:z P:x P:z P:y P:z P:y P:x P:x P:x P:y P:x P:z P:y P:z P:z P:z P:z P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">60 91 61 59 64 92 72 92 62 76 64 61 70 68 99 64 84 69 60 59 83 62 63 98 101 94 51 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.889</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="32">7.60 7.27 6.17 6.14 5.83 4.94 4.52 3.79 3.35 3.16 2.97 2.04 2.02 2.01 1.99 1.99 1.69 1.68 1.66 1.63 1.61 1.60 1.55 1.54 1.51 1.48 1.36 1.34 1.31 1.28 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:y P:y P:x P:z P:z P:x P:z P:z P:y P:z P:z P:x P:z P:x P:z P:y P:y P:x P:x P:x P:y P:y P:y P:y P:y P:z P:z P:z P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">38 57 28 27 26 77 29 29 31 77 28 27 31 42 35 30 46 31 34 52 26 44 97 29 24 36 85 57 54 26 96 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.672</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="16">26.96 17.17 5.67 4.90 4.49 3.66 2.99 2.59 2.50 2.28 2.23 1.88 1.76 1.63 1.26 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:z2 D:xy P:z P:x D:z2 D:xz D:xz P:z D:xy P:y P:x P:x P:z P:x D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.33 1.33 1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">105 105 51 58 104 104 105 40 104 58 88 71 46 36 105 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc O O Tc Tc Tc O Tc O O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.645</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="16">38.12 5.76 5.50 4.71 4.55 4.05 3.15 2.71 2.15 1.70 1.61 1.48 1.46 1.22 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:yz P:z D:xz D:xy P:z D:x2-y2 P:y P:y P:y D:yz P:x P:y P:y P:z D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.33 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">105 71 105 104 65 105 58 65 40 104 67 71 51 62 104 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc O Tc Tc O Tc O O O Tc O O O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.590</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="16">27.11 10.24 6.31 5.47 3.39 3.39 3.33 3.25 2.17 1.98 1.98 1.67 1.42 1.27 1.13 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:x2-y2 D:xy D:z2 P:x D:yz P:x P:y P:x P:y P:z P:y P:z D:xy P:x D:x2-y2 P:z</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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">105 105 105 71 105 58 65 72 58 51 51 62 104 65 104 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Tc Tc Tc O Tc O O O O O O O Tc O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.619</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="20">33.81 9.59 4.59 4.28 2.98 2.97 2.78 2.18 1.96 1.93 1.71 1.61 1.60 1.35 1.23 1.17 1.14 1.09 1.07 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:xy P:x D:xy D:z2 D:xz D:xz P:y P:z D:z2 D:xy P:z D:xz P:y P:y D:x2-y2 D:xy D:xy P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">104 104 27 22 20 5 1 46 31 3 18 42 18 31 36 3 20 1 28 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc O W W W W O O W W O W O O W W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.213</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="25">7.47 7.34 5.28 4.76 4.64 3.79 2.77 2.65 2.19 2.15 1.99 1.96 1.96 1.81 1.63 1.56 1.55 1.48 1.43 1.35 1.32 1.24 1.23 1.23 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy D:z2 D:xz D:z2 D:xz D:yz D:z2 D:xy D:x2-y2 P:y D:yz D:xy D:xz P:y P:z P:x P:x D:xy D:x2-y2 P:z P:z D:yz D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">15 11 9 16 13 10 14 14 13 8 51 8 104 8 58 63 69 101 9 10 65 71 10 16 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W O W Tc W O O O O W W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.190</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">6.31 5.82 4.84 3.85 3.71 3.65 3.26 2.96 2.53 2.41 2.41 2.34 2.08 1.96 1.84 1.71 1.62 1.60 1.60 1.56 1.49 1.32 1.28 1.17 1.16 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:z2 D:xz D:z2 D:xz D:yz D:z2 D:xy D:xy D:z2 D:x2-y2 P:x D:xy D:yz P:y D:z2 P:z P:y P:x D:x2-y2 P:z D:xz D:xz D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 22 2 5 20 21 3 3 104 20 5 19 34 2 19 36 19 96 46 53 21 42 19 4 20 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W Tc W W W O W W O W O O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.177</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="11">20.03 10.40 9.95 5.17 4.84 4.71 4.59 1.99 1.84 1.56 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">D:x2-y2 D:z2 D:xy D:yz D:yz P:x P:y D:xy P:z D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 1.00 1.00 1.00 1.33 1.33 1.00 1.33 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">104 104 104 105 104 40 40 105 40 105 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc Tc Tc Tc O O Tc O Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.126</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="11">17.64 16.35 10.70 6.88 6.84 3.32 2.33 1.63 1.50 1.29 1.04</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:xy D:z2 D:xz P:y P:z D:z2 D:xy D:xz D:yz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -6.681 -6.681 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">1.00 1.00 1.00 1.33 1.33 1.00 1.00 1.00 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">104 104 104 40 40 105 105 105 104 46 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">Tc Tc Tc O O Tc Tc Tc Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.033</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="28">12.34 7.11 5.35 4.36 3.56 2.77 2.73 2.71 2.60 2.34 2.06 1.99 1.77 1.77 1.67 1.64 1.59 1.48 1.43 1.27 1.27 1.22 1.22 1.21 1.20 1.19 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:xz D:xz D:xy P:x D:z2 D:xy D:xy D:xz D:xy P:y P:z D:z2 P:x D:yz P:y D:x2-y2 D:x2-y2 P:x P:z P:y P:y P:y D:xz D:xy P:z P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681</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 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.00 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">17 12 7 7 60 9 17 11 16 12 70 64 16 99 14 84 105 7 68 93 64 61 91 17 9 92 98 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W O W W W W W O O W O W O Tc W O O O O O W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.963</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="27">9.35 7.45 7.09 5.78 4.84 4.53 2.78 2.38 2.22 2.15 2.09 2.09 2.09 2.09 1.83 1.76 1.73 1.71 1.56 1.56 1.51 1.23 1.19 1.15 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz D:xy D:yz D:xy D:xz P:x P:z D:x2-y2 D:xy P:x D:z2 D:xz D:yz D:xy D:x2-y2 P:x P:z D:xz P:z P:z P:y P:y D:z2 D:xz P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">6 6 104 4 1 38 29 6 18 52 2 18 19 1 19 35 85 21 37 30 29 97 6 19 85 44 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W Tc W W O O W W O W W W W W O O W O O O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.944</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">10.72 6.44 5.85 4.67 4.41 4.12 3.96 3.77 2.62 2.56 2.39 2.35 2.30 2.29 2.11 1.70 1.60 1.50 1.48 1.48 1.46 1.36 1.31 1.23 1.10 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xz D:xz D:z2 D:xy D:yz D:xy D:z2 P:y P:x P:y D:z2 P:x P:z D:yz P:z P:x D:xy D:xy P:x P:y D:x2-y2 D:x2-y2 D:x2-y2 P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -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 -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 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">12 7 9 7 14 12 13 61 68 91 14 99 59 8 92 69 9 13 101 58 8 7 14 83 92 71 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W O O O W O O W O 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">-3.917</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">8.46 6.30 6.16 5.76 4.74 3.66 3.46 3.29 3.19 3.01 2.97 2.89 2.68 2.31 1.79 1.77 1.57 1.53 1.25 1.22 1.17 1.10 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xz D:xz D:xy D:xy D:xy D:xz P:y P:z D:xy D:xz D:x2-y2 P:y P:y P:z D:z2 P:z P:y D:x2-y2 P:z D:z2 P:z P:y P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -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 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">1 18 18 4 22 21 28 77 1 5 18 57 46 42 5 26 44 21 30 21 33 24 24 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O W W W O O O W O O W O W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.870</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="29">12.52 7.80 7.12 3.96 3.31 2.41 2.37 2.36 2.26 2.11 2.03 2.01 1.93 1.76 1.74 1.74 1.71 1.58 1.57 1.36 1.32 1.28 1.24 1.19 1.14 1.12 1.11 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:xz D:xy D:xz D:z2 P:y D:z2 D:z2 P:z D:x2-y2 P:z P:z P:y D:z2 P:y P:z P:y P:z D:yz P:x D:yz P:x P:z D:x2-y2 P:y P:z D:yz D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -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 -4.492 -9.089 -4.492 -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="29">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">11 16 15 10 13 51 9 16 93 10 65 76 84 14 91 63 98 98 14 101 8 69 59 8 94 94 10 13 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W O W W O W O O O W O O O O W O W O O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.847</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="30">9.20 4.72 4.01 3.42 3.40 3.40 3.19 3.00 2.95 2.94 2.68 2.56 2.53 2.36 2.25 2.20 2.07 2.05 1.94 1.83 1.62 1.52 1.45 1.36 1.28 1.18 1.16 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:z2 D:z2 D:x2-y2 D:xy D:xy D:xy D:yz P:x D:yz D:z2 P:y P:y D:xz D:xz P:x D:z2 P:x P:x P:z D:xz D:xy P:z D:x2-y2 P:y D:yz P:y D:x2-y2 D:z2 D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -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 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 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 1.33 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">2 20 19 22 4 2 3 35 19 3 36 97 21 5 34 19 52 53 96 19 20 37 21 46 20 44 3 5 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W O W W O O W W O W O O O W 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">-3.753</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="17">20.57 15.37 5.86 4.52 3.24 3.12 2.53 2.05 1.68 1.55 1.49 1.38 1.35 1.30 1.18 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:yz D:x2-y2 P:y D:xy P:y D:x2-y2 P:x P:x P:z D:xy P:x D:x2-y2 P:z D:xz P:y D:z2 D:xz</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 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 6 85 6 37 2 81 100 45 21 37 21 37 6 45 2 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W O W O W O O O W O W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.741</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="12">20.39 12.17 9.89 6.70 5.63 5.07 4.23 4.20 2.52 2.20 2.12 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">D:z2 D:xz D:x2-y2 P:z D:xz P:x D:xz P:x P:z P:z P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">17 17 17 84 11 70 14 89 74 70 66 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">W W W O W O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.722</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="21">10.32 8.07 6.04 5.36 3.06 2.86 2.77 2.46 2.29 2.08 1.63 1.47 1.34 1.22 1.13 1.12 1.10 1.10 1.08 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:yz D:x2-y2 D:yz D:xy D:xy D:yz D:x2-y2 D:xy D:z2 P:z P:y P:y D:x2-y2 D:xy D:xz D:xz S D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -6.681 -6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -24.020 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.00 1.00 0.80 1.00 1.00 1.00 1.00 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.00 0.80 0.80 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">105 104 17 105 104 104 105 105 6 17 17 40 40 70 104 6 17 10 40 14 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Tc Tc W Tc Tc Tc Tc Tc W W W O O O Tc W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.584</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="17">25.58 7.89 7.02 6.96 4.73 4.28 2.78 2.75 2.23 1.77 1.70 1.68 1.53 1.34 1.17 1.16 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xy D:x2-y2 D:xy P:y P:y P:x P:y D:yz P:x D:xz D:xz D:xy D:x2-y2 P:z P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.00 0.80 0.80 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">17 17 16 74 76 80 83 17 83 9 105 9 9 95 92 95 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W O O O O W O W Tc W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.562</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="14">23.87 10.07 4.72 4.51 4.38 4.24 3.82 2.93 2.63 2.36 1.77 1.54 1.16 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:z2 D:xy P:z D:z2 D:xz D:xz P:z P:x P:x P:z P:x P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">6 6 100 19 6 4 44 43 97 86 100 97 100 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">W W O W 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">-3.507</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="23">10.44 3.63 3.46 3.33 3.13 2.58 2.18 1.97 1.96 1.90 1.89 1.87 1.73 1.67 1.61 1.39 1.30 1.28 1.18 1.16 1.08 1.08 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:yz D:yz D:xy D:z2 D:xy D:xz D:xz D:x2-y2 D:xy D:x2-y2 D:xy D:xz P:x D:z2 P:y D:xz D:xz P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -6.681 -4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -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 1.00 0.80 0.80 0.80 1.00 1.00 0.80 0.80 0.80 1.00 0.80 1.00 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">17 12 7 104 6 15 6 105 104 1 6 7 104 12 105 69 9 70 18 4 84 101 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W Tc W W W Tc Tc W W W Tc W Tc 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">-3.439</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">6.28 4.83 4.06 3.68 3.11 3.11 3.06 2.56 2.54 2.42 2.23 2.19 2.13 1.93 1.92 1.80 1.57 1.48 1.47 1.46 1.43 1.25 1.20 1.14 1.11 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:xy D:yz D:z2 D:yz D:x2-y2 D:z2 D:x2-y2 D:z2 D:xz P:y D:xy D:xy D:x2-y2 P:z D:x2-y2 P:y D:xz D:xz D:xy D:xy D:xy D:yz D:xz D:xz D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -9.089 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 1.00 0.80 1.00 0.80 0.80 0.80 1.00 1.33 0.80 1.00 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 11 14 105 8 105 9 10 8 105 61 8 105 14 92 16 91 16 14 9 17 15 9 13 15 15 76 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W Tc W Tc W W W Tc O W Tc W O W O W W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.410</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">6.21 5.89 5.53 3.94 3.10 2.76 2.64 2.56 2.42 2.21 2.18 2.01 1.58 1.53 1.52 1.38 1.33 1.31 1.23 1.20 1.12 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:xz D:xz D:xz D:xy D:x2-y2 D:xz D:yz D:xy D:yz D:xy D:xy D:xz D:xz D:x2-y2 D:xy D:z2 P:z D:xz P:x P:y D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -6.681 -6.681 -6.681 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 1.00 0.80 0.80 0.80 1.00 1.00 1.00 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 1 105 18 18 6 104 104 105 17 104 1 7 12 18 6 6 85 4 34 44 21 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W Tc W W W Tc Tc Tc W Tc W W W W W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.337</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="27">6.75 5.71 3.72 3.71 3.45 3.21 3.03 2.73 2.58 2.54 2.47 2.45 2.26 2.25 2.14 2.05 2.03 1.88 1.88 1.83 1.42 1.36 1.36 1.32 1.29 1.20 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:xy D:xy D:xz D:yz D:z2 D:xz D:z2 D:yz D:z2 D:z2 D:x2-y2 D:xy P:y P:y P:y D:x2-y2 P:z D:xz D:yz D:yz D:z2 D:z2 P:z D:xz P:y P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -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="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.00 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="27">22 4 21 3 2 22 20 19 5 104 5 5 46 57 28 104 26 5 2 20 21 3 77 104 36 42 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W Tc W W O O O Tc 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">-3.284</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">436</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">11.79 9.74 4.53 4.01 3.79 3.18 3.18 3.00 2.58 2.55 2.37 2.36 2.14 2.08 1.72 1.67 1.60 1.43 1.35 1.24 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:xy D:xz D:z2 D:z2 D:xy D:xz D:x2-y2 D:yz D:xy P:x D:xz P:x P:x P:x D:z2 P:y D:x2-y2 P:z P:z P:z D:x2-y2 D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 9 13 11 14 14 14 9 72 16 68 60 99 10 51 8 64 65 63 17 8 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O W O O O W O W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.254</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="23">8.44 7.95 7.33 5.42 4.95 3.71 3.07 3.05 2.45 2.24 2.21 1.92 1.68 1.58 1.54 1.45 1.39 1.35 1.32 1.29 1.25 1.18 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:z2 D:xz D:x2-y2 D:xy D:xz P:x D:z2 D:xy D:xz D:z2 P:x P:x D:z2 P:x D:x2-y2 P:z D:yz D:z2 P:y P:z P:z 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 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">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 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">4 20 21 3 22 5 38 2 20 3 3 27 34 21 53 19 29 3 19 36 31 30 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W O W W W W O O W O W O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.222</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">9.09 7.96 6.83 6.75 6.16 6.14 4.80 4.69 3.73 3.58 3.42 3.01 2.60 2.56 2.39 2.02 1.97 1.66 1.59 1.29 1.27 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:z2 D:yz D:z2 D:yz P:y P:z D:z2 P:y P:z P:z D:z2 D:yz D:yz P:z P:y D:x2-y2 D:xy D:x2-y2 D:x2-y2 P:y 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 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -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 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 11 7 16 88 67 12 89 90 80 15 10 12 79 79 12 10 15 10 90 7 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O W O O O W W W O O W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.213</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="25">11.04 6.56 5.37 5.21 4.78 4.72 4.65 4.23 4.07 3.22 3.19 3.13 2.67 2.53 2.33 2.18 2.16 1.94 1.86 1.55 1.48 1.41 1.34 1.30 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy P:y D:xz D:xz P:x P:x D:x2-y2 P:z D:yz P:y D:xy D:yz D:yz D:xz D:x2-y2 P:z D:x2-y2 D:xy P:x P:x D:z2 D:xz D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -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 -9.089 -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="25">0.80 0.80 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 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">3 1 32 20 18 48 87 20 55 2 86 19 19 20 1 2 45 18 18 55 45 20 3 19 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W O W W O O W O W O W W W W W O W W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.175</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="30">4.39 4.29 3.52 3.45 2.93 2.85 2.81 2.70 2.54 2.41 2.34 2.26 2.08 1.97 1.92 1.90 1.85 1.85 1.79 1.71 1.63 1.50 1.24 1.18 1.10 1.10 1.09 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">D:x2-y2 D:xz D:z2 D:x2-y2 D:z2 P:z D:yz D:xz D:yz D:xz D:xy D:xz D:xz D:x2-y2 D:xz P:z D:yz P:x D:xz D:xz D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:z2 P:x P:x D:xy P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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 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 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">8 14 14 17 13 66 17 16 8 11 11 15 9 13 13 95 9 89 8 17 16 9 16 11 11 60 88 9 58 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W O W W W W W W W W W O W O W W W W W W W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.156</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="24">7.59 7.39 5.13 4.91 4.71 4.61 4.22 3.99 3.95 3.83 3.41 3.38 3.31 3.23 3.08 2.80 2.40 2.40 2.26 1.69 1.52 1.28 1.27 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy P:x P:x D:xz D:yz P:y P:y D:x2-y2 D:x2-y2 D:xy D:x2-y2 P:z D:xy D:xz D:yz D:xz D:x2-y2 P:z P:x D:xz P:y D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -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 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">14 12 79 90 7 13 66 25 9 8 8 13 56 7 9 8 12 7 95 56 13 95 9 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W O O W W O O W W W W O W W W W W O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.151</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="22">9.73 8.31 7.91 6.27 5.19 4.98 4.65 4.43 4.34 3.60 3.43 3.23 2.93 2.68 2.58 2.49 1.95 1.86 1.50 1.35 1.30 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:z2 D:z2 P:y D:yz D:z2 P:z P:y P:z P:z D:z2 D:yz P:y P:z D:x2-y2 P:y D:yz D:x2-y2 D:xy D:x2-y2 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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">22 5 18 1 23 4 21 49 43 81 48 4 21 87 87 1 48 1 18 5 4 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W W O O O O W W O O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">443</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.66 5.35 3.94 3.56 3.40 3.38 3.09 2.88 2.70 2.33 2.22 2.04 2.00 1.99 1.93 1.69 1.35 1.34 1.34 1.31 1.29 1.29 1.28 1.18 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:xz D:xz D:x2-y2 D:x2-y2 P:x D:xz P:x D:xy D:yz D:yz D:yz D:xy D:yz P:z D:xz D:xz D:x2-y2 P:x P:x P:y P:y P:z P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">21 4 5 19 2 81 6 43 22 104 2 6 5 19 42 22 3 20 49 23 45 46 86 100 2 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W O W Tc W W W W O W W W O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.947</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="26">8.33 4.85 4.54 3.80 3.71 3.22 3.00 2.96 2.57 2.54 2.38 2.25 2.23 2.15 1.95 1.95 1.89 1.81 1.59 1.51 1.49 1.44 1.42 1.35 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:yz D:xy D:yz D:xz P:y D:yz D:xy D:x2-y2 P:z D:xz D:x2-y2 P:x P:x P:y D:z2 D:xy D:z2 D:z2 D:xz P:z D:xz P:x P:y D:yz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 16 16 10 89 15 10 9 80 15 13 80 67 88 14 15 10 15 11 67 14 88 99 10 95 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O W W W O W W O O O W W W W W O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.935</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="22">8.12 6.66 5.71 5.52 5.03 4.36 3.89 3.68 3.19 3.10 2.02 1.98 1.89 1.69 1.57 1.55 1.32 1.28 1.21 1.19 1.17 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:xy D:xz D:yz P:y D:yz P:y P:z D:yz P:z D:xz D:yz D:z2 D:yz D:yz P:y D:xz P:z D:xz D:x2-y2 D:x2-y2 P:x</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 -4.492 -9.089 -4.492 -9.089 -4.492 -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 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">3 19 20 2 86 19 32 45 20 55 4 22 2 5 3 24 2 30 1 2 21 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W O O W O W W W W W O W O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.908</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="23">7.35 4.58 4.30 4.10 3.77 3.58 3.38 3.14 2.77 2.71 2.61 2.60 2.48 2.42 2.24 1.78 1.52 1.51 1.46 1.26 1.19 1.13 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xz D:xz D:yz D:yz D:yz D:z2 P:y D:xz P:y D:xz D:xy P:z P:z D:xy P:x P:z P:z D:xz D:yz D:xy D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 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="23">14 9 15 8 13 16 10 66 10 25 13 8 56 95 11 88 67 80 11 9 13 12 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W O W O W W O O W O O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.881</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="31">8.75 5.16 4.73 4.04 3.82 3.32 3.29 2.95 2.89 2.16 2.07 2.05 1.58 1.55 1.52 1.43 1.43 1.35 1.34 1.33 1.31 1.28 1.20 1.19 1.14 1.08 1.06 1.05 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xz D:xz P:x D:xy D:z2 D:xy D:x2-y2 D:yz P:x P:z P:x D:x2-y2 D:z2 D:xz D:xy P:x D:z2 D:x2-y2 D:xy D:yz D:xz P:z P:y P:z P:x D:z2 D:xz D:xz D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">21 3 4 81 5 19 22 20 5 43 32 49 2 2 22 1 23 22 3 20 22 20 86 23 49 96 4 5 21 21 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W O W W W W W O O O W W W W O W W W W W O O O O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.870</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">7.50 5.25 3.98 3.72 3.27 3.10 2.84 2.67 2.63 2.61 2.29 2.15 1.81 1.54 1.49 1.45 1.40 1.34 1.32 1.32 1.29 1.27 1.23 1.22 1.22 1.21 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:z2 D:z2 D:yz D:xy D:xy D:xz P:z D:xy D:yz P:z D:yz D:xz P:z D:z2 D:yz P:x D:xy P:z P:x D:xy P:y D:yz P:x D:x2-y2 D:x2-y2 D:yz P:y 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 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -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="28">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 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="28">7 12 11 10 12 9 90 16 15 79 12 7 95 10 17 79 15 60 90 7 89 16 67 12 7 9 79 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W O W W O W W O W W O W O O W O W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.858</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="25">6.82 5.16 5.09 4.99 4.82 4.57 3.74 3.73 2.28 2.20 2.16 1.92 1.90 1.89 1.76 1.69 1.48 1.48 1.43 1.38 1.36 1.21 1.15 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy P:x P:x D:xz D:z2 D:xy D:xz D:xy D:yz D:xz D:z2 D:yz P:x D:z2 D:z2 D:x2-y2 D:x2-y2 P:y P:y P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -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 -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="25">0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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="25">1 18 87 48 1 18 3 18 19 22 4 1 4 29 2 20 20 19 32 86 31 87 48 43 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W O O W W W W W W W W W 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">-2.841</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="17">10.42 5.97 5.92 5.78 5.32 4.61 4.18 2.45 2.22 2.14 1.58 1.30 1.29 1.18 1.15 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xy P:x P:x D:xz D:x2-y2 D:xy D:xz D:x2-y2 D:xy D:x2-y2 D:x2-y2 P:x P:y P:x D:yz D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">12 90 79 7 7 7 12 8 14 13 9 64 66 62 13 9 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W O O W W W W W W W W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.833</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="24">8.57 8.47 4.38 3.94 3.80 3.61 3.49 3.35 2.65 2.51 2.39 2.33 2.29 1.62 1.46 1.44 1.39 1.35 1.34 1.29 1.27 1.17 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:x2-y2 D:yz D:x2-y2 P:y P:z D:yz P:y P:z D:yz D:z2 D:yz D:yz P:y D:yz D:xz D:z2 D:z2 D:xz P:z D:xy P:y 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 -9.089 -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 -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 1.33 1.33 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 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">1 18 18 22 1 87 48 5 48 87 4 2 1 18 23 6 18 20 21 1 49 3 43 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O O W O O W W W W 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">-2.790</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">452</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">6.77 5.55 3.95 3.89 3.56 2.48 1.86 1.80 1.71 1.68 1.64 1.54 1.48 1.46 1.44 1.42 1.39 1.39 1.33 1.32 1.32 1.28 1.21 1.18 1.14 1.14 1.09 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:z2 D:z2 D:z2 D:z2 D:z2 D:yz D:yz P:y D:xz D:x2-y2 P:z D:yz D:xy P:z D:xy P:y D:xy P:y D:xz P:z P:z P:y D:z2 D:xy D:yz D:xy D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">17 13 7 8 9 12 14 8 70 15 12 90 12 10 83 13 58 16 84 7 71 62 79 14 17 16 7 15 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W O W W O W W O W O W O W O 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">-2.733</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="31">8.05 6.85 5.02 4.65 3.90 3.71 2.98 2.72 2.54 2.35 1.91 1.75 1.61 1.60 1.48 1.43 1.42 1.38 1.38 1.33 1.27 1.19 1.19 1.13 1.11 1.11 1.09 1.06 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:yz D:yz P:y P:x D:xz D:z2 D:z2 P:y D:yz P:z P:x D:xy D:yz P:y D:yz P:z P:x P:y D:yz D:xy P:z D:yz P:y P:y D:xz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">13 14 9 8 11 16 66 56 9 10 8 89 15 80 25 8 9 25 8 95 95 95 13 15 25 14 94 88 14 56 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W O O W W W O W O O W W O W O O O W W O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.726</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="31">4.84 3.91 3.57 3.23 3.06 2.73 2.60 2.60 2.54 2.43 2.30 2.28 2.10 2.05 1.83 1.70 1.63 1.62 1.60 1.54 1.30 1.24 1.23 1.22 1.22 1.20 1.16 1.10 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:yz D:yz D:x2-y2 D:yz D:x2-y2 D:xy D:x2-y2 D:yz D:xy D:xy D:xy P:z D:xy D:yz D:yz P:x D:xz P:z D:xz P:z P:y P:y D:z2 P:y D:z2 D:z2 P:x D:xy D:yz P:y P:x</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 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">5 6 20 22 21 6 2 104 22 2 4 49 1 21 4 27 18 37 5 81 43 44 4 97 3 2 45 19 2 46 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W Tc W W W O W W W O W O W O O O W O W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.715</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="26">6.36 5.40 4.36 3.14 2.87 2.69 2.53 2.44 2.35 2.26 2.24 2.11 1.98 1.96 1.84 1.71 1.64 1.60 1.59 1.52 1.51 1.35 1.32 1.29 1.23 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:yz D:yz D:xz P:y P:z D:z2 D:yz D:xz P:y D:xy D:yz D:xz D:yz D:xz D:z2 D:z2 P:z D:z2 P:z D:xy D:yz P:y P:z 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 -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 -9.089 -9.089 -6.681</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 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">21 19 22 5 4 23 81 4 4 3 43 22 6 22 19 5 5 3 86 20 49 5 21 97 32 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O O W W W O W W W W W W W O W O W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.705</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="29">10.27 6.34 5.88 4.67 3.02 2.46 2.44 2.16 2.02 1.96 1.96 1.95 1.87 1.78 1.71 1.56 1.47 1.43 1.33 1.25 1.24 1.19 1.18 1.16 1.10 1.09 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xz D:xy D:z2 D:xz P:z P:y P:x P:z D:xz D:xy P:z D:xz P:x D:x2-y2 D:z2 D:xy D:xz D:yz P:z D:xz P:x D:xy D:xz D:xy P:y D:x2-y2 D:xz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.00 0.80 0.80 1.33 0.80 1.33 0.80 1.00 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">15 8 8 14 51 25 88 66 13 10 25 12 70 14 17 105 17 13 56 11 58 15 105 9 65 9 8 61 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W O O O O W W O W O W W Tc W W O W O W Tc W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.639</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="21">3.88 3.03 2.98 2.85 2.54 2.50 2.43 2.09 2.00 1.95 1.78 1.70 1.54 1.50 1.41 1.32 1.32 1.27 1.21 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:xy D:xy D:xz D:x2-y2 D:z2 D:z2 D:xy D:xy D:x2-y2 D:xy D:yz P:x D:xz D:x2-y2 D:yz D:xy P:x D:z2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">13 10 11 16 10 9 8 15 5 13 9 8 72 10 16 10 13 60 7 20 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W O W W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.635</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="19">9.70 5.51 3.71 3.44 3.12 2.06 1.96 1.95 1.73 1.46 1.44 1.41 1.36 1.28 1.27 1.18 1.12 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xy D:z2 D:xz P:x D:xz D:yz D:x2-y2 D:x2-y2 D:xz D:xz D:yz P:z P:x P:x D:z2 P:x P:z D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-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 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">5 20 21 49 18 2 2 20 1 20 5 96 37 42 21 53 24 6 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W O W W W W W W W 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">-2.608</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="24">8.96 5.66 5.41 5.18 4.52 4.05 3.32 2.59 2.35 2.34 1.79 1.69 1.68 1.62 1.54 1.51 1.43 1.36 1.30 1.23 1.13 1.11 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:xy D:xy D:xz D:z2 D:yz D:xy D:yz P:y P:x D:x2-y2 P:x P:x P:y D:yz D:xz D:xy D:x2-y2 D:x2-y2 P:y P:z P:x P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">4 22 22 3 19 1 3 28 34 19 23 27 57 2 5 2 18 3 36 29 38 30 97 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W O O W O O O W W W 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">-2.584</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">460</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.88 5.52 4.95 4.01 3.25 2.89 2.54 2.44 2.31 2.18 2.11 1.83 1.70 1.69 1.66 1.64 1.60 1.47 1.37 1.34 1.34 1.25 1.20 1.15 1.06 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:xy D:xz D:z2 D:xz D:yz D:x2-y2 D:xy P:x D:yz P:x P:y D:xz P:y D:xz P:x P:z D:yz P:x D:xz D:xz P:x P:x D:xy D:yz D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">15 11 10 15 14 11 14 8 12 88 8 67 91 12 61 13 68 63 16 60 17 8 58 89 7 13 17 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W O W O O W O W O O W O W W O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">461</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.55 4.32 4.09 3.35 3.19 3.01 2.62 2.47 2.42 2.39 2.38 2.28 2.06 2.05 2.00 1.70 1.62 1.54 1.43 1.22 1.20 1.18 1.15 1.13 1.09 1.07 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xz D:xz D:z2 D:xz D:z2 D:xy D:xy D:xy D:z2 D:xy P:x D:xy P:z D:x2-y2 P:x P:x D:xz D:yz P:x P:z P:z P:z D:xy P:x D:x2-y2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">7 10 12 9 16 10 7 17 16 13 10 99 12 59 13 67 69 13 11 68 98 94 93 105 71 9 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W O W O W O O W W O O O O Tc O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.545</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">462</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.88 4.44 4.11 4.10 3.89 2.88 2.87 2.45 2.32 2.23 2.16 2.16 1.84 1.83 1.73 1.61 1.61 1.56 1.54 1.47 1.43 1.32 1.32 1.18 1.18 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">D:z2 D:xy D:x2-y2 D:xy D:xz D:xz D:xy D:xz P:x P:x D:x2-y2 D:xy D:x2-y2 D:xy P:x P:z D:x2-y2 P:y D:xz D:xy P:z P:y P:z P:z P:x D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">2 5 20 21 5 18 20 1 49 96 21 18 6 3 53 42 2 55 20 2 37 85 77 24 35 104 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W O O W W W W O O W O W W O O O O O Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.512</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="23">7.05 6.85 5.40 5.14 4.18 3.88 3.38 3.30 3.29 2.81 2.46 2.09 2.09 2.08 1.93 1.82 1.73 1.24 1.20 1.18 1.14 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xz D:xz D:z2 D:z2 P:x P:z D:z2 P:x D:xy P:z D:z2 D:x2-y2 D:xz D:z2 P:x D:xy D:xy P:z P:x D:x2-y2 D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -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="23">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33 0.80 1.33 0.80 0.80 0.80 0.80 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="23">3 22 4 19 6 23 32 104 36 22 44 22 3 1 3 97 19 6 46 43 6 18 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O Tc O W O W W W W 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">-2.467</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">3.37 3.16 2.76 2.14 1.95 1.82 1.81 1.64 1.57 1.52 1.51 1.46 1.38 1.36 1.32 1.30 1.25 1.19 1.18 1.12 1.12 1.12 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:xz D:z2 D:xy D:yz D:xz D:x2-y2 D:x2-y2 D:z2 D:xz D:xy P:x D:xz P:x D:xz D:xz D:z2 D:xy D:x2-y2 D:yz D:yz S D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -14.028 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.00 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">17 6 19 22 6 11 104 20 2 104 16 100 12 40 15 17 22 6 2 8 13 106 18 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W Tc W W Tc W O W O W W W W W W W P W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.88 7.17 5.52 4.15 4.12 3.22 2.89 2.51 2.32 2.31 1.85 1.80 1.79 1.69 1.34 1.19 1.16 1.16 1.14 1.08 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:xz D:z2 D:x2-y2 D:xz P:x P:x D:xy D:xy D:yz D:xz D:xz D:xz P:y D:yz P:z D:xy P:y D:xz D:xz P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -6.681 -9.089 -9.089 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 1.00 1.00 1.33 1.33 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">16 11 105 105 105 80 89 15 105 13 14 8 10 71 16 58 13 51 16 17 76 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc Tc Tc O O W Tc W 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">-2.393</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="20">5.54 3.50 3.03 2.68 2.64 2.34 2.21 1.97 1.74 1.64 1.55 1.55 1.47 1.38 1.22 1.18 1.10 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz D:xz D:x2-y2 D:xz D:xy D:x2-y2 D:xz D:xy P:x D:xz P:x D:xz D:xy D:z2 D:xz P:x D:xy P:z D:xy D:xy</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 -9.089 -4.492 -9.089 -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="20">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">15 6 17 17 10 20 10 6 88 3 67 20 17 14 12 100 5 74 21 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W O W O 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">-2.291</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">4.14 3.64 2.79 2.26 2.05 1.98 1.87 1.80 1.79 1.69 1.56 1.50 1.48 1.43 1.32 1.25 1.23 1.16 1.08 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">D:z2 D:xz D:z2 D:xy D:z2 D:xz D:xy D:x2-y2 D:yz D:x2-y2 D:xz D:xy D:xy D:xz D:x2-y2 D:xz D:xy P:y D:xy D:z2 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">9 15 8 5 14 7 21 14 17 13 22 11 10 20 20 6 6 77 14 20 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">468</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">2.57 2.46 2.20 1.82 1.81 1.78 1.73 1.61 1.48 1.47 1.44 1.39 1.38 1.32 1.27 1.22 1.22 1.19 1.15 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:xy D:yz D:xz D:x2-y2 D:xz D:xy D:xy D:xy D:z2 D:x2-y2 D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:xz D:xy D:yz D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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="22">20 9 4 17 7 2 18 21 5 11 2 21 10 1 3 14 22 22 15 6 12 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.232</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="24">6.21 5.04 4.81 4.54 3.16 3.12 3.06 2.96 2.92 2.82 1.94 1.90 1.71 1.64 1.47 1.45 1.29 1.26 1.23 1.16 1.15 1.13 1.12 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:z2 D:x2-y2 D:x2-y2 D:z2 D:xz D:xz D:xz D:xz D:xz D:xz P:z D:x2-y2 D:xz D:xy P:x D:xz D:yz D:z2 P:z D:xy P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.681 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.00 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 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="24">104 2 104 19 22 104 3 2 5 19 86 19 4 20 37 21 22 18 36 6 96 86 97 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Tc W Tc W W Tc W W W W 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">-2.144</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="21">3.18 2.45 2.32 2.10 2.08 1.87 1.82 1.71 1.70 1.56 1.49 1.38 1.37 1.37 1.36 1.35 1.26 1.24 1.23 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:yz D:xy D:yz D:xy D:xy D:xz D:yz D:z2 D:yz D:yz D:yz P:y D:xz D:xz D:yz D:xz D:yz D:xy P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">19 11 8 15 3 16 20 2 10 16 22 19 86 13 2 5 11 10 5 45 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W O W W W W W W O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.132</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="24">10.97 9.74 5.53 4.39 4.37 3.31 3.13 3.11 2.67 2.60 2.33 2.32 2.22 2.13 1.74 1.59 1.57 1.43 1.33 1.31 1.28 1.17 1.14 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:xz D:x2-y2 D:z2 P:x P:x P:y D:xz P:z P:z D:xz P:x P:x D:z2 D:yz P:z P:y P:x D:xy P:z D:x2-y2 P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -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 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">15 10 14 9 14 67 88 92 9 66 61 10 61 70 17 9 51 95 92 14 95 17 65 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O O O W O O W O O W 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">-2.112</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="28">5.34 3.83 3.28 2.92 2.78 2.51 2.27 2.01 1.68 1.65 1.59 1.57 1.54 1.53 1.50 1.49 1.45 1.28 1.22 1.22 1.19 1.15 1.08 1.07 1.04 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:xy D:xy D:yz D:z2 D:yz D:yz D:xy D:xz D:x2-y2 D:yz P:y P:x P:y P:z D:yz D:xy P:z P:y D:xz D:yz P:z D:xz P:y D:yz P:z D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">15 3 19 11 10 10 16 16 20 20 20 88 31 86 72 2 8 45 32 11 22 67 2 72 19 55 5 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W O O O O W W O O W W O W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.094</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="20">8.76 8.37 7.58 4.19 4.06 3.84 3.51 3.42 2.97 2.68 2.38 2.33 2.26 2.15 2.13 1.85 1.55 1.10 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy D:x2-y2 D:xz D:z2 P:y D:xz D:xz D:xz P:z D:xy P:x P:y P:z P:x P:x P:x D:z2 P:x P:z P:z</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 -9.089 -4.492 -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="20">0.80 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 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">21 20 4 3 77 3 6 20 28 3 81 55 32 36 43 96 104 85 96 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W O W W W O W 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">-1.990</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">474</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">8.15 8.00 4.08 3.94 3.40 3.29 3.11 2.93 2.74 2.68 2.50 2.28 2.23 1.95 1.78 1.69 1.44 1.43 1.35 1.15 1.10 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">D:xy D:xy D:xz P:x P:x D:xz D:xz D:z2 P:y D:x2-y2 D:yz D:x2-y2 P:y D:yz D:yz P:z D:xz D:xz P:x D:z2 D:xy P:z P:y</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 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</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 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">7 12 7 79 90 12 9 7 94 9 9 13 93 16 13 95 13 11 98 10 8 94 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W O O W W W O W W W O W W O W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.985</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="22">3.76 3.69 2.28 2.16 2.15 2.13 1.96 1.84 1.79 1.73 1.57 1.49 1.44 1.33 1.25 1.24 1.14 1.13 1.05 1.05 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:yz D:yz D:yz D:xy D:xy D:yz D:xz D:z2 D:yz P:x D:x2-y2 D:yz D:xz P:y D:xz D:z2 D:xz D:z2 D:yz D:x2-y2 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 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">3 15 20 22 8 1 4 3 18 11 31 19 10 11 32 7 19 104 1 3 20 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W O W W W O W W Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">9.05 7.63 5.33 3.01 2.97 2.97 2.57 2.55 2.43 2.28 2.26 2.01 1.64 1.58 1.56 1.56 1.54 1.48 1.45 1.43 1.28 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:x2-y2 D:xy P:z P:y D:yz P:z D:xy P:z D:yz P:y D:yz D:z2 P:z D:xy D:xz D:x2-y2 P:x 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 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">1 18 2 18 34 35 4 48 1 52 22 53 5 4 87 5 18 1 87 20 43 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O O W O W O W O W W O W W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.953</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="24">10.62 10.38 5.41 4.65 4.01 3.71 3.36 3.27 3.15 2.93 2.84 2.81 2.73 2.05 1.82 1.34 1.34 1.29 1.19 1.15 1.15 1.12 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 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:x2-y2 D:yz P:z P:z P:y P:z D:x2-y2 P:y D:yz D:yz P:y P:z D:yz P:y D:z2 D:z2 P:y D:xz D:z2 P:y D:z2 D:z2</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 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 4.055 -9.089 4.055 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 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 0.80 0.80 1.33 0.80 0.00 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">7 12 7 11 101 90 69 68 12 79 12 15 99 79 16 89 10 16 90 7 7 88 12 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W O O O O W O W W O O W O 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">-1.947</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="22">6.24 3.16 2.75 2.70 2.50 2.44 2.41 2.40 2.29 2.17 2.11 2.04 1.63 1.58 1.55 1.23 1.20 1.16 1.08 1.07 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:yz D:yz D:xy P:y D:x2-y2 D:yz D:yz P:x D:yz D:yz D:x2-y2 P:y P:x D:yz D:xz D:x2-y2 D:x2-y2 P:z D:x2-y2 D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">14 4 21 8 66 8 5 22 64 9 14 9 25 62 8 9 14 13 95 20 20 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W W W O W 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">-1.944</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="27">6.85 5.51 5.31 4.79 3.77 3.11 2.91 2.61 2.40 2.30 2.27 2.12 1.91 1.71 1.62 1.55 1.52 1.46 1.45 1.34 1.20 1.19 1.19 1.16 1.15 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:xz D:xz D:x2-y2 P:x D:xy P:x D:x2-y2 D:xy D:z2 P:x D:yz D:xy P:x P:y D:x2-y2 D:xz P:y D:yz P:y D:xz D:xy P:z P:z D:z2 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 -9.089 -4.492 -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 -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="27">0.80 0.80 0.80 0.80 1.33 0.80 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 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="27">1 18 1 18 48 19 87 1 18 1 54 2 3 30 33 20 2 87 18 24 3 5 45 24 2 86 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W O W O W W W O W W O 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">-1.930</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">6.17 5.60 5.04 3.06 2.51 2.11 2.05 2.04 2.00 1.88 1.59 1.57 1.53 1.34 1.29 1.24 1.10 1.08 1.05 1.04 1.03 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">D:yz D:yz D:yz D:z2 D:xy P:z D:xy P:y D:yz P:z D:xz D:x2-y2 P:z P:y P:y D:xy D:z2 D:yz D:x2-y2 D:xz D:z2 D:z2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089</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 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">21 4 5 21 14 81 16 53 22 38 11 8 49 38 43 21 4 9 13 22 18 8 66 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O W O W O W W O O O W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.906</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="23">4.78 4.63 3.53 2.99 2.43 2.40 2.35 2.05 1.97 1.87 1.76 1.50 1.32 1.30 1.30 1.19 1.18 1.12 1.08 1.07 1.07 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xz D:xy D:z2 D:xz D:xz D:xy D:xz D:yz D:yz D:xy D:x2-y2 D:x2-y2 D:z2 P:x P:y P:x P:z P:y P:x P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">2 11 16 19 13 22 5 19 11 16 8 19 17 8 89 59 80 91 26 97 86 16 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W O 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">-1.829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">482</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.43 5.75 5.41 3.97 3.96 3.58 3.06 2.99 2.51 2.51 2.49 1.97 1.94 1.85 1.77 1.73 1.55 1.34 1.26 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:x2-y2 D:xy P:x S D:xz D:x2-y2 D:xy D:xy P:x P:x P:z P:y S D:xz P:y D:z2 D:xz D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -5.688 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.493 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 1.33 2.00 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">17 9 17 83 17 14 17 10 9 70 74 74 92 102 9 95 8 15 17 83 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W O W W W W W O O O O H W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.819</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">483</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">10.76 8.16 5.02 4.59 4.14 2.66 2.43 2.25 2.21 2.13 1.92 1.88 1.82 1.43 1.28 1.27 1.21 1.14 1.05 1.04</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:xz D:x2-y2 D:xy S P:x P:x D:xz P:z P:x S P:z D:xy P:x D:x2-y2 P:z P:x P:z P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -5.688 -9.089 -9.089 -4.492 -9.089 -9.089 -6.493 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 2.00 1.33 1.33 0.80 1.33 1.33 1.00 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">6 4 6 6 6 100 43 3 44 44 103 100 21 85 21 28 28 85 36 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W O O W O O H O W O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.812</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="19">3.40 2.93 2.60 2.55 2.43 2.30 2.18 1.96 1.94 1.55 1.41 1.31 1.26 1.25 1.23 1.21 1.20 1.08 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:yz D:z2 D:xy D:yz D:x2-y2 D:x2-y2 D:z2 D:xy D:yz D:xy P:x P:y D:z2 D:xy D:z2 D:yz D:yz P:z P:z</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 -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="19">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">11 12 8 22 13 2 16 19 16 18 62 69 19 7 5 5 15 80 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W O O W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.796</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="23">4.32 2.88 2.87 2.46 2.40 2.32 1.99 1.94 1.60 1.45 1.42 1.37 1.36 1.33 1.28 1.27 1.24 1.14 1.11 1.10 1.09 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">D:xy D:xy D:z2 D:yz D:yz D:x2-y2 D:yz D:xz D:z2 D:yz D:xz D:z2 D:x2-y2 D:z2 P:x D:xy D:xz D:xy P:y D:yz D:yz 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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">19 18 12 22 11 13 5 2 16 15 1 5 2 1 29 1 18 7 69 2 10 20 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W O W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">486</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">7.06 6.98 6.70 5.84 4.55 3.46 3.04 2.81 2.67 2.67 2.45 2.39 2.05 1.89 1.87 1.79 1.75 1.73 1.67 1.60 1.51 1.24 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:z2 D:xy D:xz D:x2-y2 D:z2 P:x D:x2-y2 P:y D:xz D:x2-y2 D:xz P:y P:x P:x P:z P:x D:xy P:z P:x D:yz D:xy D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -6.681 -9.089 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.00 1.33 1.00 1.33 0.80 0.80 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">8 16 11 13 105 58 105 59 13 8 105 71 80 71 25 89 105 91 91 13 17 7 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Tc O Tc O W W Tc O O O O O Tc O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.650</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="30">5.53 5.35 4.57 3.51 3.11 2.50 2.30 2.05 2.04 1.81 1.78 1.77 1.75 1.72 1.66 1.63 1.57 1.56 1.54 1.46 1.43 1.34 1.16 1.15 1.09 1.05 1.05 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:x2-y2 D:x2-y2 D:xy D:yz D:xy D:z2 D:z2 D:yz P:x P:z D:yz D:z2 P:y P:z D:z2 D:yz D:x2-y2 D:yz D:x2-y2 D:z2 D:x2-y2 P:y S P:y P:x P:y P:x D:xz 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 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -14.028 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 2.00 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">12 13 9 7 14 8 7 16 15 62 93 11 14 94 63 12 9 8 10 7 13 12 99 107 79 56 98 69 16 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W O O W W O O W W W W W W W O P O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.628</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="28">4.23 3.75 3.63 3.63 3.54 3.47 3.38 2.79 2.51 2.31 1.88 1.54 1.49 1.48 1.47 1.44 1.42 1.41 1.33 1.33 1.17 1.14 1.13 1.12 1.10 1.05 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:yz D:x2-y2 D:yz D:z2 D:yz D:z2 D:xz D:z2 D:yz D:x2-y2 P:y D:x2-y2 P:x D:z2 D:x2-y2 D:xz D:xy P:z P:y D:x2-y2 P:z P:z P:y D:xy D:yz P:z P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -14.028</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 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">21 18 22 1 4 5 1 18 5 2 53 21 35 3 20 4 22 34 87 19 52 48 24 18 20 49 27 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O W O W W W W O O W O O O W W O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.525</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="14">11.58 8.38 8.11 6.05 3.87 3.74 3.10 2.83 2.24 1.75 1.43 1.41 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:x2-y2 P:x D:xz D:xz D:xy P:z D:xy D:xy P:y P:y D:xy D:xy D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -6.681 -6.681 -9.089 -4.492 -6.681 -9.089 -9.089 -4.492 -4.492 -6.681 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.00 1.33 1.00 1.00 1.00 1.33 0.80 1.00 1.33 1.33 0.80 0.80 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">104 40 104 105 104 40 5 105 42 26 16 20 105 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">Tc O Tc Tc Tc O W Tc O O W W Tc W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.502</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.53 9.07 6.59 5.64 4.78 4.31 4.24 3.21 3.17 2.76 2.49 1.79 1.67 1.60 1.55 1.50 1.25 1.10 1.10 1.10 1.06 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:z2 P:z D:xz D:xy P:y D:x2-y2 D:z2 D:z2 P:z P:x D:x2-y2 D:yz D:z2 P:y D:x2-y2 P:z P:x D:xz D:xz D:xy P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -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 4.055</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.00 1.00 1.33 0.80 0.80 1.33 1.00 0.80 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 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">104 104 46 22 5 42 104 22 19 57 23 2 5 3 26 22 36 49 3 19 19 97 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Tc Tc O W W O Tc W W O O W W W O W O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.961</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="7">19.95 19.69 2.41 2.40 1.50 -1.13 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="7">2 2 3 3 1 2 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">-2.078 -2.078 0.215 0.215 -14.028 0.790 -14.028</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="7">1.00 1.00 0.00 0.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="7">108 109 108 109 107 105 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="7">Cs Cs Cs Cs P Tc P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.857</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="23">3.25 3.20 2.65 2.52 1.92 1.74 1.70 1.65 1.60 1.45 1.42 1.41 1.31 1.30 1.23 1.22 1.14 1.12 1.12 1.11 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:yz D:yz D:yz D:xz S S D:xy D:z2 D:z2 D:yz D:x2-y2 D:yz D:z2 D:yz D:x2-y2 D:xy D:xz D:yz P:y P:y 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 -4.492 -14.028 -14.028 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 18 12 7 9 107 106 14 4 21 5 7 22 15 13 8 13 20 8 90 48 16 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W P P W W W W W W W W W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.796</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="16">13.38 12.98 3.13 2.70 1.79 1.64 1.55 1.44 1.29 1.25 1.24 1.23 1.22 1.18 1.18 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">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="16">S S D:yz D:yz D:z2 D:z2 D:xy D:yz D:xz D:x2-y2 D:xy D:x2-y2 D:yz D:x2-y2 D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               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 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">108 109 1 18 4 21 13 5 9 7 14 8 22 12 5 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">Cs Cs W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.773</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="21">4.92 4.80 4.48 3.33 3.17 2.62 2.60 1.94 1.86 1.81 1.65 1.60 1.57 1.32 1.32 1.27 1.19 1.16 1.12 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:yz D:z2 D:z2 D:yz D:x2-y2 D:yz D:z2 D:xy D:z2 D:yz D:x2-y2 D:x2-y2 P:z D:x2-y2 D:xz S D:xy D:yz D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -2.078 -4.492 -4.492 -4.492 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">15 12 10 7 16 15 7 11 13 16 10 12 11 72 7 8 109 14 11 12 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W O W W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.762</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="26">4.16 3.60 3.25 3.14 3.04 2.94 2.92 2.59 2.07 2.04 2.04 1.96 1.78 1.73 1.70 1.70 1.33 1.21 1.19 1.16 1.16 1.11 1.09 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:x2-y2 D:xy D:x2-y2 D:xz D:z2 D:xy D:xy D:z2 D:yz D:x2-y2 P:x D:x2-y2 D:xy D:xz D:x2-y2 D:z2 P:y D:x2-y2 P:x P:z P:z D:z2 D:yz 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 -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 -9.089 -9.089 -9.089 -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 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 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">18 1 20 18 20 5 1 2 21 19 22 31 3 3 3 19 22 33 4 55 54 34 4 1 2 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W O W W W W W O W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.702</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="22">4.72 4.45 3.82 3.82 3.59 3.52 3.44 2.73 2.73 2.40 2.24 2.06 1.85 1.48 1.45 1.34 1.21 1.09 1.06 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 2 1 2 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:xy D:x2-y2 D:xz D:x2-y2 D:xz D:x2-y2 D:xy D:z2 D:z2 S P:x S P:x D:x2-y2 D:x2-y2 P:x D:x2-y2 D:yz P:y P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -2.078 -9.089 -2.078 -9.089 -4.492 -4.492 -0.504 -4.492 -4.492 -9.089 -9.089 -6.681</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 1.00 1.33 1.00 1.33 0.80 0.80 0.00 0.80 0.80 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 9 16 14 17 17 11 17 14 11 108 66 109 95 14 9 14 12 10 80 58 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W Cs O Cs O W W W W W O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.657</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="23">6.11 4.85 4.64 3.54 3.03 2.84 2.75 2.71 2.57 2.52 2.07 1.93 1.91 1.81 1.62 1.44 1.33 1.28 1.18 1.16 1.10 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:x2-y2 D:x2-y2 D:z2 D:z2 D:xz D:xy D:xz D:yz D:yz D:x2-y2 D:x2-y2 P:z S D:yz P:y S P:y P:z P:x D:z2 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 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -9.089 -2.078 -4.492 -9.089 -2.078 -9.089 -0.504 -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 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.00 0.80 1.33 1.00 1.33 0.00 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 6 21 4 104 6 2 19 2 21 4 104 43 109 4 81 108 96 4 77 19 1 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W Tc W W W W W W Tc O Cs W O Cs O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.545</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">12.86 8.48 7.08 6.68 6.65 4.39 3.60 3.25 1.76 1.72 1.51 1.35 1.17 -1.08 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">2 1 2 2 3 1 2 3 3 2 1 2 3 2 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 D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-5.688 -6.493 2.471 -5.688 1.232 -6.493 2.471 1.232 1.232 -2.078 -4.492 -2.078 1.232 24.654 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 1.00 0.00 2.00 0.00 1.00 0.00 0.00 0.00 1.00 0.80 1.00 0.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">17 102 102 6 17 103 103 6 14 109 16 108 9 74 11 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W H H W W H H W W Cs W Cs W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.528</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="17">11.94 8.96 7.93 7.76 5.95 4.60 4.27 4.04 3.49 2.64 2.17 1.86 1.55 1.43 1.40 1.14 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">2 1 3 2 2 1 3 2 3 3 3 2 3 3 2 2 3</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">-5.688 -6.493 1.232 2.471 -5.688 -6.493 1.232 2.471 1.232 1.232 1.232 -5.688 1.232 1.232 -5.688 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 1.00 0.00 0.00 2.00 1.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">6 103 6 103 17 102 17 102 21 4 14 21 9 19 4 14 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W H W H W H W H 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">-0.504</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="4">35.54 35.41 1.25 1.25</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-2.078 -2.078 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">1.00 1.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">108 109 1 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">Cs Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.293</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">3.87 3.57 3.53 3.19 3.16 2.81 2.80 2.80 2.79 2.71 2.58 2.51 2.48 2.20 2.20 -1.99 1.78 1.76 1.66 1.58 1.57 1.47 1.36 1.30 1.22 1.19 1.11 1.09 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 3 2 3 2 2 3 3 3 1 3 3 3 2 2 2 1 2 2 2 1 1 1 1 1 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S S S S S D:x2-y2 S S S S S S D:yz S S S S D:yz D:x2-y2 D:xy D:z2 D:x2-y2 S D:yz P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 1.232 -5.688 -5.688 1.232 1.232 1.232 -4.492 1.232 1.232 1.232 -5.688 -5.688 0.790 -4.492 -5.688 -5.688 -2.078 -14.028 -4.492 -4.492 -4.492 -4.492 -4.492 -2.078 -4.492 -0.436 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 2.00 2.00 0.00 0.80 2.00 2.00 1.00 2.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">13 13 8 8 12 7 11 12 16 15 14 9 7 14 9 105 9 11 16 109 107 13 10 9 14 16 108 8 109 14</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 Tc W W W Cs P W W W W W Cs W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.271</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">-3.95 3.94 3.76 3.71 3.60 3.50 3.30 3.30 3.15 2.68 2.54 2.34 2.30 2.22 2.17 2.05 2.02 2.02 1.89 1.85 1.84 -1.82 1.74 1.71 1.60 1.56 1.40 1.39 -1.34 1.29 1.24 -1.23 -1.22 1.08 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">2 2 3 2 3 2 2 3 3 3 3 2 3 3 1 1 1 2 2 2 2 2 1 1 2 1 1 1 3 2 1 1 1 3 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">S S S S S S S S S S S P:x S S D:x2-y2 D:z2 D:x2-y2 P:x S S S S D:yz D:yz S S D:x2-y2 D:x2-y2 S S D:xz S S S D:yz S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">0.790 -5.688 1.232 -5.688 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -0.436 1.232 1.232 -4.492 -4.492 -4.492 -0.436 -5.688 -5.688 -5.688 0.790 -4.492 -4.492 -5.688 -14.028 -6.681 -4.492 1.232 -5.688 -6.681 -5.054 -5.054 1.232 -4.492 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">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 0.80 0.80 0.80 0.00 2.00 2.00 2.00 0.00 0.80 0.80 2.00 2.00 1.00 0.80 0.00 2.00 1.00 2.00 2.00 0.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">104 18 18 22 22 1 5 1 5 2 19 109 4 21 21 4 4 108 4 2 21 105 3 20 19 106 104 22 6 17 104 105 104 15 2 10 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">Tc W W W W W W W W W W Cs W W W W W Cs W W W Tc W W W P Tc W W W Tc Tc Tc W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.168</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">503</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.20 4.72 4.68 4.48 3.29 2.93 2.91 2.86 2.23 2.19 2.01 1.95 1.87 1.84 1.77 1.70 1.64 -1.58 1.47 1.34 1.23 1.08 1.06 -1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 3 3 3 2 2 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S D:x2-y2 D:z2 D:xy D:z2 D:xz D:xy D:z2 D:x2-y2 S P:x D:x2-y2 S D:xz S D:xz P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -5.054 2.224 -4.492 -5.054 -4.492 0.790 -4.492 2.224 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 0.00 0.80 2.00 0.80 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 22 8 5 13 8 5 22 14 22 13 4 8 9 5 15 105 107 8 104 13 104 9 106 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W Tc P W Tc W Tc W P Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.158</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">4.04 3.91 3.74 3.04 2.21 2.20 2.10 1.99 1.80 1.75 1.72 1.62 1.52 1.51 1.42 1.35 1.34 1.31 1.18 1.12 1.11 1.10 1.04 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:xz D:xy D:z2 D:xy P:z D:x2-y2 P:x P:z D:z2 D:xz P:z D:xz D:yz D:x2-y2 D:x2-y2 P:x P:z D:yz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -0.504 -9.089 -4.492 -9.089 -0.504</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 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.00 1.33 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 15 11 16 14 14 8 9 17 13 70 10 66 88 8 16 89 14 10 9 15 14 58 8 83 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W O W O O W W 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">-0.138</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="20">4.66 3.16 2.81 2.70 2.68 2.57 2.18 2.06 1.88 1.66 1.50 1.44 1.31 1.30 1.23 1.23 1.20 1.08 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy D:xy D:yz D:yz D:x2-y2 D:x2-y2 D:xz D:z2 D:yz P:y D:yz D:z2 D:x2-y2 P:z D:yz D:xz D:yz P:y D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">2 20 21 2 5 21 19 4 4 81 1 22 3 43 19 6 18 85 6 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W O W W W O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.110</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="20">5.07 4.25 3.05 2.93 2.49 2.12 1.86 1.81 1.78 1.59 1.25 1.25 1.24 1.15 1.11 1.09 1.09 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:yz D:x2-y2 D:xz D:xz D:z2 D:xz D:z2 D:yz D:z2 P:z D:x2-y2 D:xy D:yz P:y P:y D:xz P:x D:x2-y2 P:z</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 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -0.504</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 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">7 12 15 8 9 22 14 4 9 5 79 5 13 4 79 90 13 66 14 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W O W W W O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.100</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="18">7.18 6.02 2.49 2.45 2.35 2.22 2.17 2.08 1.66 1.64 1.60 1.52 1.32 1.30 1.21 1.07 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">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="18">D:yz D:yz D:xy D:x2-y2 D:yz D:yz D:xy P:y D:x2-y2 D:x2-y2 P:y D:z2 P:y D:xz D:z2 D:z2 D:xy D:x2-y2</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 -9.089 -4.492 -4.492 -0.504 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.00 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">7 12 9 12 10 14 13 90 5 14 12 10 72 10 22 5 14 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W O 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">-0.094</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="29">6.25 6.05 5.27 2.98 2.68 2.49 2.12 2.10 1.96 1.84 1.81 1.71 1.63 1.62 1.58 1.53 1.47 1.45 1.39 1.35 1.29 1.24 1.20 1.17 1.17 1.09 1.08 1.06 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 2 2 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:x2-y2 D:yz D:x2-y2 D:yz P:y P:z D:xy D:z2 D:x2-y2 D:xz D:x2-y2 P:y P:y D:z2 D:yz D:z2 P:y P:z D:x2-y2 D:z2 P:y P:z P:y D:xz D:yz D:z2 P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               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 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -0.504 -0.504 -4.492 -4.492 -0.504 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 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 0.00 0.00 0.80 0.80 0.00 1.33 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">18 1 1 3 3 48 87 18 18 18 21 21 87 31 4 20 21 1 18 4 22 18 31 47 18 2 20 48 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W O O W W W W W O O W W W W W W W W O O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.060</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="29">3.00 2.80 2.79 2.50 2.47 2.43 2.05 2.04 1.89 1.81 1.76 1.75 1.65 1.50 1.49 1.48 1.40 1.33 1.30 1.27 1.18 1.17 -1.16 1.15 1.15 1.13 1.10 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 1 3 2 2 3 3 2 2 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S D:x2-y2 S S S S S S S S D:z2 D:yz D:z2 D:x2-y2 S D:yz D:xz P:y S D:z2 P:z D:x2-y2 P:x D:z2 D:x2-y2 D:x2-y2 S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.232 -4.492 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -6.493 -4.492 -4.492 -4.492 -4.492 2.471 -4.492 -4.492 -0.436 -6.493 -4.492 -0.436 -4.492 2.224 -4.492 -4.492 -4.492 2.471 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.80 0.00 2.00 2.00 0.00 0.00 2.00 2.00 1.00 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.00 1.00 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">13 4 8 8 13 22 5 22 5 102 21 9 5 10 102 10 9 108 103 15 109 14 107 22 5 3 103 17 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W H W W W W H W W Cs H W Cs W P W W W H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">8.30 6.84 4.62 3.23 3.09 2.47 2.02 1.93 1.70 1.60 1.52 1.51 1.46 1.35 1.30 1.19 1.19</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:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:x2-y2 D:xy D:yz P:y D:yz D:yz P:y D:x2-y2 P:z D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">12 7 12 7 15 14 7 10 62 18 14 64 8 88 15 1 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W W W W W 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">-0.008</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.69 4.65 3.73 3.70 3.39 3.06 2.30 1.83 1.65 1.64 1.55 1.45 1.33 1.28 1.22 1.20 1.20 1.11 1.08 1.04 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">D:yz D:yz D:z2 D:x2-y2 D:x2-y2 D:xy D:x2-y2 D:z2 D:z2 D:x2-y2 D:xy D:z2 D:z2 P:y D:yz D:yz P:z P:y D:x2-y2 D:xz P:z D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">18 1 1 18 1 20 3 20 5 22 18 18 21 27 4 21 27 38 12 21 38 7 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W O W W O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">512</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">4.91 4.49 3.57 3.08 2.79 2.32 2.25 2.21 2.12 2.06 1.85 1.85 1.68 1.61 1.57 1.35 1.31 1.15 1.13 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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:z2 D:x2-y2 D:x2-y2 D:xz D:yz D:xy D:x2-y2 D:z2 P:y D:yz D:xy D:x2-y2 D:x2-y2 D:z2 P:z D:yz D:xz P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -0.504 -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 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">11 16 4 19 9 2 10 15 80 10 20 19 3 16 89 16 3 86 16 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W O 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">0.011</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">5.01 3.82 3.26 3.02 2.39 2.13 1.94 1.58 1.54 1.46 1.24 1.23 1.21 1.07 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">D:xz D:x2-y2 D:z2 D:xy D:x2-y2 D:x2-y2 D:x2-y2 P:x D:z2 P:y P:x D:z2 D:xz D:xz D:z2 D:yz</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 -9.089 -4.492 -9.089 -0.504 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.00 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">19 16 11 2 19 4 3 86 4 80 19 22 3 2 16 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">W W W W W W W O W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.150</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">514</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.80 3.17 2.94 2.56 1.97 1.92 1.84 1.58 1.49 1.42 1.40 1.39 1.39 1.38 1.31 1.21 1.20 1.15 1.14 1.09 1.06 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:x2-y2 D:x2-y2 D:z2 D:yz D:xz D:x2-y2 S D:x2-y2 D:z2 D:xz D:xz D:yz D:z2 S D:yz P:z D:yz D:yz P:y S 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 -4.492 -6.493 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.493 -4.492 -9.089 -4.492 -4.492 -9.089 2.471 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 0.80 1.33 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">16 15 11 11 9 2 4 102 19 10 16 13 3 14 103 14 69 16 20 101 102 21 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W H W W W W W W H W O W W O H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.171</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="23">4.46 3.33 2.82 2.46 2.46 2.36 2.26 1.91 1.90 1.78 1.69 1.50 1.34 1.34 1.24 1.22 1.22 1.15 1.11 1.11 1.07 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 2 1 1 3 3 1 1 1 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:x2-y2 D:x2-y2 D:x2-y2 D:z2 D:yz D:x2-y2 D:xy D:yz D:x2-y2 D:yz D:xz S D:xz D:xz S S D:x2-y2 D:z2 D:yz S S S</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 -5.688 -4.492 -4.492 1.232 1.232 -4.492 -4.492 -4.492 -5.688 0.215 0.215</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 2.00 0.80 0.80 0.00 0.00 0.80 0.80 0.80 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">2 11 22 19 16 3 4 19 19 15 20 16 18 20 13 14 18 21 5 13 14 109 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.196</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">10.19 10.08 8.39 8.34 7.52 7.33 6.07 5.84 3.39 3.20 3.17 3.16 2.91 2.68 -2.60 2.42 2.42 -2.30 -2.10 2.07 2.01 -1.99 1.76 1.74 1.60 1.59 1.33 1.29 1.28 1.23 1.22 1.17 1.11 1.07 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">3 3 2 2 3 3 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 3 2 3 2 2 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S S S S S S S S S S S P:y S S P:z P:y P:x P:x P:z S S S S S S S P:z S S S S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 2.224 -5.688 -5.688 2.224 2.224 -0.436 -0.436 2.224 1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 -0.436 1.232 -5.688 -5.688 -5.688 -0.436 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">7 1 7 1 12 18 12 18 9 11 2 4 9 4 107 2 11 106 106 109 108 107 21 14 14 21 16 13 19 108 22 13 22 16 109 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="36">W W W W W W W W W W W W W W P W W P P Cs Cs P W W W W W W W Cs W W W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.240</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="31">5.77 5.55 4.77 4.67 4.62 4.34 4.22 4.21 4.17 3.96 3.71 3.70 3.53 3.50 3.35 3.18 2.64 2.59 2.12 2.04 1.48 -1.38 1.35 -1.35 1.34 1.30 1.26 1.15 1.11 1.11 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 2 2 3 3 3 3 2 3 3 2 2 2 2 2 3 3 2 2 3 2 3 2 3 3 1 2 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S S S S S S S S P:y S P:x S S D:x2-y2 S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 2.224 1.232 2.224 1.232 1.232 -4.492 -5.688 1.232 -5.688 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 2.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">16 19 16 19 21 2 11 4 21 14 9 14 2 4 11 9 22 13 22 13 20 107 3 106 15 10 22 20 5 15 106</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W W W W W W W W W W P W P W W W W W W P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.266</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="36">4.69 4.66 4.65 4.57 3.70 3.66 3.46 3.41 3.41 3.31 3.29 3.29 3.17 3.00 2.91 2.90 2.88 2.88 2.48 2.33 2.29 2.13 1.89 1.81 -1.76 1.65 1.65 1.53 1.50 -1.36 1.33 1.28 1.22 -1.21 1.13 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">2 3 3 2 3 3 3 3 2 3 2 3 2 2 3 2 3 2 2 2 2 2 3 3 2 2 2 2 2 2 3 3 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S S S S S S S S S S S S S S S P:y S S P:z S S P:y S S S S P:y S S P:x P:z D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-5.688 1.232 1.232 -5.688 1.232 1.232 1.232 1.232 -5.688 1.232 -5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 -0.436 -5.688 -5.688 -0.436 1.232 1.232 2.224 -2.078 -2.078 -5.688 -5.688 2.224 0.215 0.215 -0.436 2.224 -4.492 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">5 5 8 8 18 2 11 12 13 22 22 13 18 2 7 12 1 11 109 7 1 108 16 19 106 109 108 16 19 107 109 108 108 107 22 109</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 Cs W W P Cs Cs W W P Cs Cs Cs P W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">519</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.07 5.56 4.62 3.65 3.45 3.42 3.04 2.81 2.64 2.53 2.41 2.32 2.28 2.21 2.08 1.54 1.53 1.50 1.44 1.44 1.41 1.39 1.37 1.30 1.25 1.23 1.19 1.17 1.11 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">2 2 3 3 3 3 2 3 2 3 2 3 2 3 2 3 1 1 3 3 2 2 2 2 1 1 1 3 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z S S S S S S S S S S S S S S D:yz D:yz S S S S S S D:x2-y2 D:xz D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-0.436 -0.436 0.215 0.215 1.232 1.232 -5.688 1.232 -5.688 1.232 -5.688 1.232 -5.688 1.232 -5.688 1.232 -4.492 -4.492 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -4.492 0.031 -4.492 1.232 -5.688 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.80 0.80 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.00 0.80 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">108 109 109 108 16 9 16 11 9 7 11 12 7 14 12 21 7 12 2 18 14 2 18 21 11 109 16 17 19 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">Cs Cs Cs Cs W W W W W W W W W W W W W W W W W W W W W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">520</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">8.52 8.28 5.59 5.53 5.35 5.20 4.54 4.46 2.27 -2.11 2.06 2.04 1.95 1.70 1.68 1.49 1.48 1.47 1.39 1.38 1.30 1.30 1.24 1.20 1.14 1.14 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 2 3 2 2 3 2 3 2 2 2 3 3 1 1 2 2 2 3 3 1 2 1 2 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S P:x S S S S D:x2-y2 S S S S S D:xz S D:x2-y2 S S D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 -5.688 2.224 -5.688 1.232 1.232 -6.493 -4.492 -5.688 -5.688 -5.688 1.232 1.232 -4.492 -5.688 -4.492 -5.688 0.790 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 1.00 0.80 2.00 2.00 2.00 0.00 0.00 0.80 2.00 0.80 2.00 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 19 2 16 2 16 11 11 4 106 12 12 4 102 14 8 7 18 7 18 8 14 12 21 105 13 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W P W W W H W W W W W W W W W W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.348</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="29">4.61 4.07 3.04 2.70 2.54 2.45 2.44 2.43 2.16 2.10 2.00 1.89 1.70 1.63 1.59 1.57 1.55 1.52 1.42 1.38 1.35 1.32 1.31 1.26 1.23 1.16 1.07 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 2 1 3 3 2 3 1 1 3 2 3 2 2 3 3 1 2 1 3 2 1 3 2 1 2 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S D:x2-y2 S S S S S D:x2-y2 S S S S S S S D:yz S D:yz S S D:yz S P:x D:yz S S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.232 -5.688 -4.492 1.232 1.232 -5.688 1.232 -6.493 -4.492 1.232 -5.688 1.232 -5.688 2.471 1.232 1.232 -4.492 -5.688 -4.492 1.232 -5.688 -4.492 1.232 -0.436 -4.492 -5.688 0.215 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 0.80 0.00 0.00 2.00 0.00 1.00 0.80 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 2.00 0.80 0.00 2.00 0.80 0.00 0.00 0.80 2.00 0.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">1 1 5 10 9 9 4 103 22 16 10 15 4 103 20 3 18 16 2 18 15 19 19 109 1 18 108 21 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W H W W W W W H W W W W W W W W W Cs W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.392</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">4.53 4.32 4.26 3.61 3.52 3.44 3.39 3.37 3.35 3.30 3.27 3.25 2.51 2.06 1.74 1.45 1.33 1.29 1.25 1.14 1.13 1.11 1.08 1.07 1.06 1.06 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 2 2 1 3 2 3 2 1 2 3 3 3 3 1 3 2 1 1 1 1 1 2 3 2 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S D:xy S S S S D:z2 S S S S S D:xz S S D:xy D:x2-y2 P:y D:x2-y2 P:z S S S D:z2 D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -4.492 1.232 -5.688 1.232 -5.688 -4.492 -5.688 1.232 1.232 1.232 1.232 -4.492 1.232 -5.688 0.031 -4.492 -9.089 -4.492 -9.089 -5.688 0.215 -5.688 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 2.00 0.80 0.00 2.00 0.00 2.00 0.80 2.00 0.00 0.00 0.00 0.00 0.80 0.00 2.00 0.00 0.80 1.33 0.80 1.33 2.00 0.00 2.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">14 21 9 13 18 18 12 12 22 4 21 14 9 4 8 2 8 108 8 56 5 23 5 108 2 5 13 11</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 Cs W O W O W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.59 5.21 3.89 3.86 2.94 2.76 2.74 2.15 2.01 1.86 1.74 1.67 1.62 1.55 1.54 1.51 1.50 1.49 1.40 1.40 1.33 1.26 1.21 1.18 1.08 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 1 3 2 3 1 1 2 2 2 2 3 3 1 2 2 2 1 2 2 3 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S D:x2-y2 S P:y S D:xz D:z2 S S S S S S D:xy P:z P:y S P:y S S S D:z2 S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -5.688 -4.492 1.232 -0.436 1.232 -4.492 -4.492 -5.688 -5.688 -5.688 -5.688 1.232 1.232 -4.492 -0.436 -0.436 -5.688 -9.089 -5.688 -5.688 1.232 -4.492 1.232 -6.493 -6.493 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 0.80 0.00 0.00 0.00 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.00 0.00 2.00 1.33 2.00 2.00 0.00 0.80 0.00 1.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">4 9 5 4 108 9 8 22 16 3 19 22 3 16 13 109 109 13 49 10 5 19 11 10 103 102 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W Cs W W W W W W W W W W Cs Cs W O W W W W W H H O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.15 5.86 5.11 5.08 4.72 4.06 3.35 3.05 2.66 2.11 2.01 1.92 1.85 1.85 1.81 1.78 1.72 1.68 1.67 1.50 1.48 1.45 1.44 1.43 1.24 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 2 2 2 2 3 3 1 2 2 1 1 1 2 1 2 3 2 3 3 1 2 3 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z S S P:y P:z S S D:z2 S S D:xy S S S D:yz S S S S S D:yz S S D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-0.436 -0.436 -5.688 -5.688 -0.436 -0.436 1.232 1.232 -4.492 -5.688 -5.688 -4.492 -6.493 -6.493 -2.078 0.031 -2.078 1.232 -5.688 1.232 1.232 0.031 -5.688 1.232 0.031 2.471 2.471</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 2.00 2.00 0.80 1.00 1.00 1.00 0.00 1.00 0.00 2.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">108 109 21 14 109 108 21 14 22 2 11 13 103 102 108 108 109 20 20 2 11 109 15 15 109 102 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Cs Cs W W Cs Cs W W W W W W H H Cs Cs Cs W W W W Cs W W Cs H H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.508</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="25">4.45 4.12 3.79 3.35 2.05 2.02 1.82 1.69 1.64 1.64 1.62 1.50 1.50 1.46 1.45 1.45 1.41 1.34 1.31 1.29 1.23 1.21 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 2 2 2 2 2 2 3 2 2 2 3 1 1 3 1 2 1 1 2 3 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S S S S S D:x2-y2 P:x S D:z2 S P:x D:x2-y2 S S D:xy S D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 1.232 -4.492 -5.485 1.232 -4.492 -5.688 -5.485 -4.492 -5.688 1.232 -4.492 1.232 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.80 1.00 0.00 0.80 2.00 1.00 0.80 2.00 0.00 0.80 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">22 13 5 8 10 15 3 22 19 20 16 13 16 107 5 15 11 106 10 2 8 20 10 108 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W P W W W P W W W W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.568</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="21">8.25 8.16 5.32 3.95 3.74 3.13 2.81 2.61 2.18 2.13 1.76 1.59 1.57 1.54 1.46 1.45 1.39 1.39 1.20 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">3 3 1 1 1 1 2 2 2 2 1 2 1 2 1 1 2 1 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S D:yz D:yz D:x2-y2 D:z2 S P:y S P:x D:yz S S S D:xy D:xz P:z D:yz P:z S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">0.215 0.215 0.031 0.031 0.031 0.031 -5.688 -0.436 -5.688 -0.436 -4.492 -5.688 -6.493 -5.688 0.031 0.031 -0.436 -4.492 -0.436 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 2.00 1.00 2.00 0.00 0.00 0.00 0.80 0.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">108 109 109 108 108 109 7 109 12 108 12 1 102 18 109 108 108 7 109 15 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Cs Cs Cs Cs Cs Cs W Cs W Cs W W H W Cs Cs Cs W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.600</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.51 2.81 2.56 2.40 2.07 1.87 1.83 1.60 1.56 1.53 1.44 1.36 1.33 1.26 1.25 1.15 1.14 1.10 1.09 1.09 1.09 1.07 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 2 3 1 1 1 1 2 2 1 1 2 1 1 1 1 1 3 1 2 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 P:x S D:xy D:z2 D:xz D:x2-y2 S S D:x2-y2 D:x2-y2 S D:x2-y2 P:z D:xz D:xy D:xy S D:yz S D:z2 D:xy D:x2-y2 D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -0.436 0.215 -4.492 -4.492 -4.492 -4.492 -5.688 -5.688 -4.492 -4.492 -5.688 -4.492 -9.089 -4.492 -4.492 -4.492 0.215 -4.492 -5.688 -4.492 0.031 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.00 0.00 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 2.00 0.80 1.33 0.80 0.80 0.80 0.00 0.80 2.00 0.80 0.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">11 109 109 2 15 8 16 15 3 3 10 19 5 89 19 13 9 108 10 11 22 109 19 20 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W Cs Cs W W W W W W W W W W O W W W 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">0.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.60 3.00 2.87 2.78 2.77 2.59 2.45 2.45 2.36 2.33 2.00 1.99 1.96 1.92 1.87 1.81 1.71 1.54 1.30 1.25 1.23 1.22 1.16 1.12 1.12 1.11 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">2 2 2 2 1 1 1 2 3 2 1 2 1 3 3 2 1 2 1 2 3 2 2 1 1 2 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S D:yz S D:yz S S S S S D:z2 S S S D:yz S D:x2-y2 S S S S D:yz D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -4.492 -6.493 -4.492 -5.688 1.232 -5.688 -6.493 -5.688 0.031 1.232 1.232 -5.688 -4.492 2.471 -4.492 -5.688 1.232 -5.688 -5.688 -4.492 0.031 2.471 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 2.00 2.00 0.80 1.00 0.80 2.00 0.00 2.00 1.00 2.00 0.00 0.00 0.00 2.00 0.80 0.00 0.80 2.00 0.00 2.00 2.00 0.80 0.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 7 20 10 7 103 1 18 20 3 102 12 109 3 10 5 18 103 12 16 15 15 8 10 108 102 1 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W H W W W W H W Cs W W W W H W W W W W W Cs H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.626</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="21">6.57 3.95 3.57 2.82 2.75 2.68 2.12 2.08 1.79 1.75 1.57 1.37 1.30 1.17 1.15 1.15 1.12 1.05 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">3 2 3 2 2 1 2 2 2 1 1 1 3 1 1 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S P:y S P:x P:z D:x2-y2 P:y P:z P:x D:z2 D:xz D:xz S D:xy D:xz D:xy D:z2 P:y D:z2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">0.215 -0.436 0.215 -0.436 -0.436 -4.492 -0.436 -0.436 -0.436 -4.492 0.031 -4.492 1.232 -4.492 -4.492 -4.492 0.031 -9.089 -4.492 1.232 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.00 1.33 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">108 108 109 108 109 5 109 108 109 22 109 8 9 13 19 2 109 49 13 21 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">Cs Cs Cs Cs Cs W Cs Cs Cs W Cs W W W W W Cs O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.660</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">6.79 5.92 5.20 5.15 5.06 3.86 2.50 2.13 2.08 1.78 1.57 1.50 1.49 1.49 1.37 1.28 1.27 1.27 1.20 1.18 1.13 1.09 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 2 1 1 2 2 1 3 1 2 1 2 2 1 2 2 2 1 3 1 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S P:z S S P:y S D:z2 S D:x2-y2 S D:z2 S S D:x2-y2 S S P:x D:xy S D:yz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">0.215 0.215 -0.436 -5.054 -5.054 -0.436 -5.688 0.031 1.232 -4.492 -5.688 0.031 -5.688 -5.688 -4.492 -5.688 -5.688 -0.436 0.031 1.232 -4.492 0.031 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.80 2.00 0.00 2.00 2.00 0.80 2.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">109 108 109 104 105 108 4 108 4 16 13 109 9 21 1 14 8 109 109 9 7 108 21 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">Cs Cs Cs Tc Tc Cs W Cs W W W Cs W W W W W Cs Cs W W Cs W W</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">531</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.74 3.92 3.84 3.61 3.53 3.24 3.05 2.88 2.68 2.57 1.99 1.97 1.95 1.78 1.64 1.62 1.59 1.55 1.47 1.22 1.15 1.11 1.06 1.05 1.04 1.04 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 2 1 1 2 3 2 3 2 3 1 3 1 1 1 2 2 2 1 1 1 1 1 1 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z S S D:yz D:yz P:y S S S S S D:z2 S D:xz D:x2-y2 D:xy S P:x S D:yz D:xz P:y D:x2-y2 D:xy D:z2 D:xz D:z2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-0.436 -5.688 -5.688 0.031 0.031 -0.436 1.232 -5.688 1.232 -5.688 0.215 -4.492 0.215 -4.492 -4.492 0.031 -5.688 -0.436 -5.688 -4.492 -4.492 -5.485 0.031 -4.492 -4.492 0.031 0.031 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 0.80 0.80 0.00 2.00 0.00 2.00 0.80 0.80 1.00 0.00 0.80 0.80 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 13 22 108 109 109 13 4 22 9 109 11 108 19 16 108 19 109 16 12 2 107 109 2 15 109 108 5 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs W W Cs Cs Cs W W W W Cs W Cs W W Cs W Cs W W W P Cs W W Cs Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.795</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">532</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="42">5.84 5.37 4.59 4.06 3.81 3.28 3.21 3.20 3.02 2.81 2.63 2.61 2.58 2.58 2.47 2.43 2.42 2.36 1.78 1.72 1.64 1.59 1.53 1.53 -1.38 1.34 1.33 1.31 1.30 1.24 -1.21 1.18 1.16 1.12 1.12 -1.11 -1.11 1.09 -1.09 -1.08 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="42">2 2 2 3 3 2 2 2 2 3 3 3 2 2 2 3 2 2 2 1 1 2 2 1 2 2 3 3 3 3 2 3 3 3 3 3 2 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="42">S S P:x S S S S P:x S S S S S S S S S S S S S S P:z D:xy P:x P:y S S S S S S S S S S P:x D:x2-y2 S S D:xy D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="42"
                               units="nonsi:electronvolt">-5.688 -5.688 -0.436 1.232 1.232 -5.688 -5.688 -0.436 -5.688 1.232 1.232 1.232 -5.688 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 -6.493 -6.493 -5.688 -0.436 0.031 2.224 -0.436 1.232 1.232 1.232 1.232 0.790 1.232 1.232 1.232 1.232 1.232 2.224 -4.492 1.232 0.790 0.031 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="42">2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 1.00 1.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="42">21 14 108 21 14 11 2 109 10 11 9 2 9 3 8 4 4 5 15 103 102 20 109 108 107 109 10 19 16 5 104 3 8 15 20 6 106 10 17 105 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="42">W W Cs W W W W Cs W W W W W W W W W W W H H W Cs Cs P Cs W W W W Tc W W W W W P W W Tc Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">101</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.23 7.25 6.78 5.97 5.56 4.83 4.62 4.60 4.59 4.48 3.55 3.51 3.28 3.14 2.91 2.74 2.54 2.43 2.34 2.29</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 -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">85 37 38 44 97 53 54 33 34 29 35 52 24 30 26 77 57 31 27 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.561</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">102</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">8.74 7.75 6.97 6.01 5.66 4.91 4.75 4.68 4.65 4.61 3.54 3.43 3.18 3.09 2.89 2.70 2.45 2.21 2.15 2.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">70 84 64 83 76 63 101 94 60 69 98 93 68 99 91 61 59 92 72 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">-24.258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">103</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.81 10.35 8.72 6.03 6.00 5.23 4.76 4.68 4.21 3.91 3.74 3.69 3.57 2.55 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S 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">85 44 37 54 24 52 30 38 27 31 33 35 97 29 57</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">-24.250</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">104</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">19.33 9.55 8.94 6.54 5.99 5.19 5.18 4.57 4.17 4.02 3.57 3.44 3.22 3.16 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S 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">70 83 84 69 68 99 93 101 64 98 62 72 76 60 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.220</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">105</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">11.98 11.92 9.51 8.99 7.81 7.28 7.01 6.49 5.73 3.39 2.33 1.73 1.67 1.47 1.39 1.24 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 P:y 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 2.224 -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 0.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">35 33 54 52 53 24 30 34 26 57 50 47 37 106 97 77 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O P O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.215</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">106</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.01 11.54 9.63 9.53 8.23 7.47 7.09 6.37 5.41 3.35 2.34 1.83 1.72 1.26 1.22 1.21 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 2 2</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 P:y P:z</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 2.224 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">101 98 93 69 63 68 99 94 91 59 78 84 82 76 61 107 107</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 P P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">107</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">13.64 9.74 8.47 7.01 6.94 6.29 4.45 3.98 3.88 3.73 3.48 3.32 3.03 2.75 2.06 1.85 1.82 1.64 1.54 1.28 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 P:x 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 2.224 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">38 29 37 31 97 34 57 26 28 53 41 54 77 30 36 106 96 47 33 24 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O P O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.172</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">108</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">18.38 11.05 9.84 9.66 7.24 6.14 3.75 3.39 3.31 3.16 2.76 2.42 1.90 1.71 1.43 1.19 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 2</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 P:y</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 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">64 60 84 94 76 63 69 73 59 91 92 72 101 61 82 99 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.154</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">109</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">14.78 10.52 9.56 8.18 6.96 5.95 5.84 5.77 5.65 2.90 2.15 2.09 1.78 1.38 1.20 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">31 27 52 35 38 53 24 30 34 96 36 77 29 37 33 28</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">-24.132</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">18.76 10.19 9.50 8.05 7.85 7.81 3.71 3.40 3.31 2.93 2.55 2.54 2.21 2.04 1.36</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 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">72 62 93 99 98 68 61 51 63 94 65 64 59 92 91</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">-24.063</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">111</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">12.42 11.44 9.11 8.34 7.59 7.35 6.75 4.68 4.40 3.74 2.54 1.44 1.36 1.31 1.20 1.06 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">S S S S S S S S S S S S S S S D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -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">44 97 77 85 26 28 37 96 57 42 34 24 30 27 36 6 29 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.050</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">112</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">14.30 13.81 8.22 8.19 7.96 7.24 6.97 5.17 2.87 2.29 2.14 1.64 1.61 1.57 1.25 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S D:z2 S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">83 76 70 61 92 91 84 59 51 58 94 68 17 63 65 17 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.034</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">113</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.97 7.65 7.50 7.30 7.03 6.44 5.68 5.30 5.04 4.34 4.31 3.94 3.39 2.56 2.42 2.00 1.98 1.48 1.48</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 -5.054 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">29 46 33 36 27 54 40 38 57 53 42 96 28 104 97 44 34 31 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-24.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">114</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">10.77 8.13 7.51 6.58 6.34 5.31 5.27 5.03 4.41 4.02 3.76 3.73 2.72 2.66 2.06 2.06 1.83 1.48 1.42 1.39 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">S S S S S S S S S S S S S S S S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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 -5.054 -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="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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">60 62 101 64 69 71 65 40 59 63 51 58 72 92 105 94 76 93 91 98 83 75 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O Tc 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">-23.936</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">115</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="10">73.98 1.96 1.89 1.81 1.70 1.30 1.26 1.23 1.18 1.03</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 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 -5.054 -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 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">40 60 31 72 29 27 62 104 64 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-23.851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">116</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">13.61 12.67 9.57 9.29 7.01 6.62 6.55 6.33 2.84 2.68 2.15 2.11 1.95 1.73 1.50 1.35 1.20 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 D:z2</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 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">30 52 24 35 54 34 33 53 96 42 97 37 85 44 46 36 18 1 1</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 W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.842</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">14.45 13.62 10.85 10.59 7.42 6.99 6.98 6.71 1.80 1.59 1.48 1.37 1.17 1.12 1.11 1.08 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S D:x2-y2 S D:x2-y2 D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -4.492 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 0.80 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">99 93 68 98 69 94 101 63 51 58 76 84 12 70 7 12 71 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O 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">-23.802</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">118</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">15.18 10.53 8.90 8.55 8.19 6.05 4.39 4.27 3.88 3.28 2.68 2.21 1.82 1.59 1.58 1.51 1.50 1.29 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">77 57 26 96 28 37 46 24 44 33 97 85 36 34 54 52 53 42 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.794</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">119</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">10.25 9.03 6.88 6.52 6.37 5.20 4.31 4.23 4.16 4.02 3.80 3.51 3.50 3.49 3.21 2.66 1.63 1.28 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S 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 -5.054 -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">36 42 96 29 35 26 31 24 28 38 85 40 30 46 27 97 104 53 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.787</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="22">14.61 11.47 10.35 9.95 5.88 4.51 4.18 3.99 3.93 2.86 2.84 2.38 2.13 2.02 1.79 1.52 1.51 1.39 1.28 1.23 1.08 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">S S S S S S S S S S S S S S S S S S S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">61 91 92 59 84 51 70 76 83 65 68 101 71 58 63 94 69 98 99 15 11 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.753</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="22">10.86 7.97 7.33 6.65 5.51 5.32 5.22 5.20 3.91 3.83 3.76 3.74 3.64 3.14 2.60 1.85 1.76 1.62 1.48 1.29 1.17 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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 -4.492 -24.020 -24.020 -24.020 -5.054</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 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">51 58 65 60 40 68 98 91 71 64 61 70 99 92 72 84 93 15 62 76 59 105</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 W O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.685</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">13.40 11.44 11.02 7.84 7.02 6.98 6.69 4.97 3.34 3.08 2.31 2.24 1.88 1.76 1.68 1.65 1.28 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:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -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">36 97 85 26 28 54 42 53 31 35 44 38 30 46 34 29 27 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.680</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">123</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">13.28 12.41 11.19 6.76 6.08 6.07 5.45 5.26 4.46 4.34 4.07 3.65 2.25 2.19 1.96 1.69 1.48 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S S S S D:x2-y2 S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">44 57 46 96 38 77 52 37 31 33 34 27 22 28 26 29 4 24</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.664</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">10.08 9.74 7.72 7.10 7.02 6.64 6.05 5.53 3.73 3.57 3.49 2.98 2.95 2.83 2.83 1.96 1.94 1.77 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S S S S 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">92 91 64 59 72 76 70 65 62 69 60 61 98 58 93 83 63 99 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.651</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="17">15.49 10.10 7.77 7.07 6.99 5.59 5.53 5.20 5.04 4.64 3.80 3.64 3.49 1.97 1.42 1.29 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">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="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">83 71 59 65 76 94 84 70 101 51 61 63 69 93 58 17 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.528</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="20">10.68 10.49 9.03 6.63 5.86 5.70 5.68 5.51 5.08 4.70 4.48 3.66 3.19 2.12 2.11 1.91 1.72 1.27 1.22 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">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">34 37 52 85 30 35 53 96 54 42 24 97 33 44 36 46 81 55 43 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.514</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="20">12.34 9.93 8.79 6.98 6.95 5.76 5.58 5.57 4.71 4.52 3.79 3.11 3.02 2.09 1.75 1.72 1.31 1.28 1.27 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">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">94 93 84 63 98 99 70 69 51 68 101 58 76 65 83 66 71 95 88 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">-23.498</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="16">22.96 12.11 10.30 9.89 6.79 4.80 3.66 3.55 3.12 3.11 2.14 2.08 1.90 1.52 1.49 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">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">27 38 29 31 53 34 97 36 96 35 30 37 52 87 48 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">-23.476</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="17">8.71 8.47 7.94 7.83 7.38 7.35 6.66 6.30 5.00 4.99 4.53 3.69 3.00 2.83 2.42 2.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">44 42 31 97 46 29 85 37 24 36 33 30 35 54 53 96 32</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">-23.471</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="17">22.64 12.22 10.78 9.15 7.24 5.50 3.87 3.72 3.19 2.20 1.86 1.78 1.59 1.52 1.44 1.21 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">62 64 72 60 63 94 51 65 76 84 98 99 90 79 83 69 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.449</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="19">9.13 9.03 7.33 7.14 7.07 6.95 6.28 5.38 4.87 4.78 4.01 3.57 3.53 3.18 2.54 1.86 1.86 1.39 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 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">60 72 83 84 76 58 70 71 101 68 65 99 98 69 63 91 51 59 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.447</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="12">12.04 10.46 9.08 8.64 8.03 7.26 7.18 6.94 6.42 5.23 4.05 3.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">24 33 30 54 53 35 34 52 46 42 96 36</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">-23.424</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="12">12.68 11.23 9.97 9.05 7.35 6.83 6.63 6.36 5.92 4.82 3.95 3.95</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">68 101 99 69 63 98 93 71 94 58 65 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.345</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="14">19.20 16.03 11.87 10.53 7.33 6.57 4.50 3.36 2.96 1.95 1.89 1.58 1.54 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -5.054 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">77 26 28 57 42 96 46 36 81 104 38 43 27 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">-23.317</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="20">10.46 10.20 9.14 8.22 7.15 7.11 6.46 5.66 3.68 3.55 2.94 2.86 2.78 2.61 2.57 1.54 1.42 1.33 1.29 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">37 85 30 52 54 42 96 34 97 44 36 46 33 27 31 53 29 35 24 38</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">-23.317</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="15">17.71 12.73 9.80 9.04 8.86 8.04 4.95 4.47 4.04 2.49 1.99 1.83 1.37 1.25 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 -5.054 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">61 91 92 51 58 59 66 71 65 64 105 95 62 89 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O Tc O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.297</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="21">10.89 10.08 7.42 6.72 6.36 6.18 5.35 4.88 4.66 4.38 3.12 2.51 2.48 2.44 1.47 1.40 1.30 1.16 1.15 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">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">31 27 44 24 97 35 46 29 38 36 53 84 33 70 99 93 58 69 30 94 76</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">-23.296</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="27">10.58 10.04 6.18 5.84 4.86 4.80 4.43 4.42 3.86 3.58 2.66 2.42 2.32 2.25 2.07 2.05 1.88 1.64 1.64 1.51 1.45 1.35 1.20 1.14 1.12 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">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">84 70 99 93 69 58 94 51 76 83 31 27 62 65 72 71 44 24 101 97 35 46 29 98 38 36 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.268</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">12.95 12.82 11.03 9.63 6.60 6.05 5.93 5.08 4.77 4.68 4.20 2.27 1.64 1.17 1.17</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">62 72 83 76 68 98 71 64 60 65 63 101 66 99 70</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">-23.231</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="11">57.58 11.73 3.92 2.84 2.40 2.04 1.81 1.76 1.57 1.44 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="11">1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="11">S S S S D:yz S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">81 55 57 34 21 46 43 85 28 21 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">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">-23.225</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="12">66.43 3.89 3.54 3.50 2.43 2.32 2.17 1.68 1.31 1.20 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S D:x2-y2 S S S S S S S D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="12">2.00 2.00 0.80 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="12">66 88 14 95 59 94 71 92 58 64 14 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O W O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.215</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">59.86 4.42 3.92 3.59 2.92 2.76 2.76 2.63 2.08 1.89 1.12 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S D:z2 S S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">43 26 81 32 38 4 42 53 44 4 28 54 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-23.209</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">143</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">44.48 23.25 4.26 2.66 2.25 1.79 1.77 1.60 1.55 1.50 1.17 1.10 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:xy S S S S S D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -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 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">95 55 81 67 66 9 91 64 58 43 63 20 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">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">-23.207</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="6">46.45 25.57 7.41 2.21 1.89 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S S D:xy S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">55 95 81 20 43 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.192</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="8">69.55 5.11 4.12 4.03 2.29 1.80 1.49 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S D:z2 S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">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="8">88 66 32 15 61 90 79 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.182</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="25">36.21 5.60 5.07 4.47 3.55 3.22 3.15 2.98 2.78 2.13 2.05 1.89 1.78 1.68 1.67 1.63 1.59 1.53 1.39 1.33 1.21 1.18 1.09 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">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 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -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="25">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 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="25">32 57 46 77 96 81 88 34 55 43 86 38 87 35 31 28 45 3 53 97 27 33 52 48 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 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">-23.179</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="19">36.06 6.47 5.74 5.50 5.00 4.12 3.18 3.17 2.90 2.61 2.18 1.96 1.79 1.73 1.62 1.60 1.51 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S S S S S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">32 77 96 81 57 33 46 34 35 29 30 53 27 38 3 43 97 48 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.175</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="23">13.32 10.54 7.24 6.97 6.28 6.00 4.29 4.28 4.17 3.56 3.10 2.99 2.86 2.51 2.50 2.16 2.00 1.85 1.60 1.28 1.22 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S 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="23"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -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 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">43 28 26 36 42 45 86 54 53 57 52 32 37 49 24 38 34 29 27 4 97 46 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.168</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="10">64.14 5.25 3.93 3.28 3.04 2.72 2.49 2.43 2.28 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S S S D:yz D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -4.492 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">67 90 79 95 88 92 89 10 10 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.160</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="22">8.91 7.84 7.22 6.69 6.14 5.71 5.41 5.31 4.17 4.07 3.75 3.37 2.77 2.67 2.44 2.33 2.25 2.23 2.03 1.90 1.69 1.23</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">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">94 63 64 98 51 62 93 60 61 101 71 25 66 56 69 59 88 58 72 99 95 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.156</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">151</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">24.86 15.82 8.61 5.35 4.06 3.91 3.64 2.93 2.72 2.67 2.37 2.18 1.85 1.74 1.67 1.63 1.56 1.23 1.19 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">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="20"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -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 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="20">89 80 67 59 71 65 92 58 25 91 76 95 11 84 69 101 88 68 51 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.151</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="5">78.66 3.76 2.49 2.19 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="5">1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="5">S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="5"
                               units="nonsi:electronvolt">-24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="5">2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="5">87 18 45 32 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="5">O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.149</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="6">75.98 3.47 3.40 2.48 1.88 1.26</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S D:yz S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -4.492 -24.020 -4.492 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 0.80 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">90 12 67 12 80 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.147</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="6">80.39 4.14 2.06 1.62 1.62 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S D:yz D:x2-y2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -4.492 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 0.80 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">48 1 1 32 86 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.146</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="6">77.52 5.04 4.12 1.59 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S D:yz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">79 67 7 80 95 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.135</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">65.40 4.07 3.55 3.27 3.20 2.27 2.03 1.79 1.48 1.31 1.20 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S D:xy 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 -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="12">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="12">45 86 77 87 2 96 28 26 36 85 57 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">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">-23.127</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="14">56.30 4.48 4.03 3.79 3.71 3.38 2.92 2.28 1.88 1.76 1.52 1.32 1.20 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S D:z2 S S S S S S S S S S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               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 -24.020 -24.020 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">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 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">89 80 11 61 91 51 25 90 59 65 92 71 56 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">O O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.121</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="8">68.77 5.66 5.54 3.65 2.03 1.98 1.76 1.62</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S D:xz S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">86 45 49 19 48 57 28 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.117</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="8">54.18 21.18 3.68 3.13 1.86 1.57 1.51 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S D:x2-y2 S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">2.00 2.00 2.00 0.80 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="8">49 23 86 5 28 45 52 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-23.116</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="10">54.91 13.46 5.31 5.30 3.40 3.13 1.93 1.53 1.46 1.18</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:x2-y2 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">80 25 59 56 16 92 65 71 79 91</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">-23.103</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="6">62.52 20.84 3.84 3.65 1.14 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S D:z2 S D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-24.020 -24.020 -4.492 -24.020 -4.492 -43.144</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 0.80 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">23 49 22 27 5 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.102</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="17">45.91 9.32 5.62 5.43 3.98 3.60 3.06 2.89 2.41 2.06 1.63 1.51 1.18 1.14 1.13 1.12 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">S S S S S S S S D:xz S S S S S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">25 56 80 92 65 61 51 71 8 93 58 59 70 62 63 83 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O W O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.101</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="14">10.72 9.41 8.74 8.09 7.96 7.70 6.99 6.47 6.24 6.19 6.16 5.91 1.17 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">S S S S S S S S S 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">29 33 54 31 30 24 35 34 38 53 52 27 42 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">-23.090</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="15">32.33 9.00 7.78 7.20 7.07 6.69 6.42 5.92 2.32 1.78 1.71 1.41 1.38 1.25 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">S S S S S S S S S S D:xy 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 -4.492 -24.020 -24.020 -24.020 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 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="15">56 60 101 69 25 72 99 68 93 63 13 98 64 94 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-23.087</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="15">33.98 11.09 7.33 5.41 4.17 3.68 3.53 3.53 3.52 3.29 3.26 3.25 3.11 2.85 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">56 62 25 98 94 72 60 93 64 63 68 69 101 99 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.064</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="18">13.73 12.99 10.56 9.53 6.37 6.11 5.72 4.34 4.30 3.03 2.86 2.32 2.31 1.75 1.73 1.71 1.65 1.37</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">42 26 77 96 37 29 85 54 33 24 45 49 30 31 34 38 35 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-23.036</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="21">20.97 12.84 12.06 9.27 4.97 4.23 3.15 2.84 2.68 2.31 2.06 1.72 1.71 1.68 1.57 1.53 1.39 1.37 1.28 1.24 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">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">58 91 51 61 84 70 25 60 92 101 69 65 98 89 94 68 64 99 63 83 72</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">-23.027</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">17.13 15.93 14.91 14.72 8.90 7.93 2.46 1.94 1.70 1.24 1.10 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">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">28 46 36 57 44 97 42 96 26 77 86 23</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">-22.983</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="12">21.66 18.26 14.74 12.92 6.33 5.58 4.31 2.98 2.12 1.46 1.31 -1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="12">1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="12">S S S S S S S S S S S P:y</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 -0.773</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 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="12">71 65 92 59 83 76 58 51 91 61 56 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="12">O O O O O O O O O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-15.366</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="24">8.77 7.90 7.11 6.99 6.01 5.83 4.05 3.49 3.46 3.42 3.42 3.34 3.23 2.75 2.39 2.27 1.95 1.90 1.82 1.33 1.29 1.29 1.26 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 2 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="24">P:y P:x S P:z S P:z P:x S P:y S S S P:y S P:z S P:x P:z P:x S S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -9.089 -24.020 -9.089 -24.020 -24.020 -24.020 -9.089 -14.028 -9.089 3.429 -9.089 -9.089 -9.089 -24.020 -24.020 -24.020 -24.020 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 2.00 1.33 0.00 1.33 1.33 2.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33 0.00 1.33 1.33 1.33 2.00 2.00 2.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">50 41 106 47 106 39 75 41 39 47 50 39 82 107 78 107 47 73 39 73 82 78 75 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O P O P O O O O O O O O P O P O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-15.350</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="24">10.47 8.66 7.06 6.41 6.09 5.09 3.48 3.45 3.44 3.42 3.34 3.05 2.73 2.71 2.66 2.33 2.20 2.18 1.32 1.31 1.31 1.31 1.27 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 2 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="24">P:x P:y S P:z S P:z S S S P:y S P:x P:z P:y S S P:x P:z S S P:y S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -14.028 -9.089 3.429 -9.089 -24.020 -24.020 -24.020 -9.089 -24.020 -9.089 -9.089 -9.089 -14.028 3.429 -9.089 -9.089 -24.020 -24.020 -9.089 -24.020 -24.020 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 2.00 1.33 0.00 1.33 2.00 2.00 2.00 1.33 2.00 1.33 1.33 1.33 2.00 0.00 1.33 1.33 2.00 2.00 1.33 2.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 82 107 78 107 73 73 82 78 50 75 41 47 73 106 106 78 39 41 47 39 50 39 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O P O P O O O O O O O O O P P O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.338</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="15">29.89 11.19 9.14 7.76 4.82 3.61 2.43 2.03 1.65 1.62 1.42 1.15 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:y P:x P:z S D:xz D:x2-y2 S D:xz S S P:x P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.493 -4.492 -4.492 -6.493 -4.492 -24.020 2.471 -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 1.00 0.80 0.80 1.00 0.80 2.00 0.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">100 74 100 103 6 6 102 17 100 103 100 39 50 74 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O H W W H W O H O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.330</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="13">39.12 10.91 8.48 6.87 3.51 3.32 2.81 1.89 1.80 1.80 1.72 1.26 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">P:x P:y S D:xz P:z P:z S P:y S S D:xz D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.493 -4.492 -9.089 -9.089 -6.493 -9.089 -24.020 2.471 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.33 1.33 1.00 0.80 1.33 1.33 1.00 1.33 2.00 0.00 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">74 100 102 17 74 100 103 74 74 102 6 6 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O H W O O H O O H W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.236</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="26">9.53 7.62 5.60 4.41 3.60 2.67 2.52 2.41 2.39 2.31 2.24 2.02 1.90 1.90 1.76 1.73 1.71 1.67 1.47 1.37 1.28 1.20 1.19 1.14 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 2 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:y P:y P:x P:z P:x P:z P:x D:x2-y2 P:x P:x P:x P:y P:x P:y P:x P:z P:z P:y P:z P:y P:x S P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -6.681 -9.089 -13.534 -5.485 -9.089 -13.534 -9.089 -9.089 2.224 -9.089 -5.485 -9.089 -9.089 2.224 -24.020 -9.089 -6.493</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 2.00 1.00 1.33 2.00 1.33 1.33 0.00 1.33 1.00 1.33 1.33 0.00 2.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">39 75 39 100 39 50 47 106 41 104 74 108 107 47 109 82 40 106 78 106 100 41 107 39 50 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O P O Tc O Cs P O Cs O O P O P O O P O O H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.149</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="19">21.34 5.85 4.54 4.23 3.67 3.30 3.05 2.95 2.87 2.09 1.56 1.45 1.44 1.40 1.20 1.15 1.10 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 2 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:y P:y P:x P:z P:z P:y P:x S P:x P:x P:z P:x P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -5.485 -9.089 -9.089 2.224 -9.089 -9.089 -9.089 -9.089 -24.020 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.00 1.33 1.33 0.00 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 1.33 1.00 1.33 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">75 39 107 82 39 107 73 78 73 41 75 82 47 50 39 106 78 108 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O P O O P O O O O O O O O O P O Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.126</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="19">16.00 10.65 4.92 4.43 3.99 3.72 2.93 2.20 1.99 1.86 1.74 1.64 1.60 1.53 1.51 1.31 1.30 1.25 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:z P:x P:z P:z P:y P:y P:z P:y P:y P:x P:y P:y P:z P:z P:z S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -13.534 -9.089 -5.485 -5.485 2.224 -9.089 -9.089 -13.534 -9.089 -9.089 2.224 -9.089 -24.020 -9.089 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 2.00 1.33 1.00 1.00 0.00 1.33 1.33 2.00 1.33 1.33 0.00 1.33 2.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">50 47 47 78 108 82 106 106 106 39 78 109 41 39 106 41 50 50 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O Cs O P P P O O Cs O O P O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.119</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="19">15.01 9.94 9.78 5.23 4.24 3.49 2.41 2.37 2.24 2.07 1.99 1.85 1.74 1.48 1.45 1.34 1.22 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:z P:x P:y P:x P:y P:y P:x P:y P:z P:z P:y P:z P:z P:y S P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -13.534 -9.089 -9.089 -5.485 2.224 -9.089 -9.089 -9.089 -13.534 -13.534 -9.089 -5.485 -9.089 -24.020 -9.089 -5.485 2.224</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 2.00 1.33 1.33 1.00 0.00 1.33 1.33 1.33 2.00 2.00 1.33 1.00 1.33 2.00 1.33 1.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">82 78 108 50 78 107 107 82 75 47 108 108 73 107 73 82 47 106 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O Cs O O P P O O O Cs Cs O P O O O P P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.114</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="10">33.81 12.14 6.63 4.60 4.53 2.80 2.17 1.12 1.11 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">P:x P:z P:y P:x P:z P:z P:z P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089 -9.089 -13.534 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 1.33 1.33 2.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">108 108 108 109 47 78 109 39 75 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs O O Cs O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.099</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="6">44.15 19.08 7.69 5.27 5.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:x P:z P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">109 109 108 109 108 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.063</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="10">27.99 23.51 10.91 3.86 2.58 1.70 1.55 1.44 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:y P:z P:y P:z P:x P:y P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">2.00 2.00 2.00 2.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">108 108 109 109 41 82 50 73 78 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">Cs Cs Cs Cs O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.031</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="6">28.98 24.95 22.18 7.76 1.46 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">P:y P:y P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -13.534 -13.534 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">108 109 109 108 109 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">Cs Cs Cs Cs Cs O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.017</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="17">16.25 15.81 10.39 5.40 3.91 3.12 2.77 2.45 2.23 2.13 1.58 1.45 1.24 1.21 1.08 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:z P:x P:z P:z P:x P:x P:y P:y P:x P:x P:z P:y P:z P:z P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -13.534 -9.089 -13.534 -13.534 -9.089 -9.089 -5.485 2.224 -9.089 -9.089 -9.089 -5.485 -9.089 -24.020</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">2.00 2.00 1.33 2.00 1.33 2.00 2.00 1.33 1.33 1.00 0.00 1.33 1.33 1.33 1.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">108 108 41 109 73 108 109 73 50 106 106 47 78 82 107 39 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Cs Cs O Cs O Cs Cs O O P P O O O P O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.014</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="9">33.54 16.32 12.33 4.07 3.96 3.55 1.67 1.37 1.35</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">P:x P:z P:y P:x P:x P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534 -9.089 -13.534 -9.089 -9.089 -9.089 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">2.00 2.00 2.00 1.33 2.00 1.33 1.33 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">108 108 108 41 109 73 47 73 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">Cs Cs Cs O Cs O O O Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-13.003</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">23.72 6.69 6.54 5.93 5.84 3.53 2.94 2.30 2.01 1.87 1.42 1.37 1.37 1.25 1.10 1.07 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 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:z P:z P:x P:z P:x P:y P:y P:y P:z P:z P:z P:y P:x P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-13.534 -13.534 -9.089 -9.089 -13.534 -13.534 -9.089 -9.089 -9.089 -9.089 -5.485 -9.089 -5.485 -9.089 -13.534 2.224 2.224 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 2.00 1.33 1.33 2.00 2.00 1.33 1.33 1.33 1.33 1.00 1.33 1.00 1.33 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">109 108 41 73 109 109 73 78 82 47 107 50 106 82 108 107 106 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs Cs O O Cs Cs O O O O P O P O Cs P P Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.994</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="3">46.68 25.44 17.81</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="3">1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="3">P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="3"
                               units="nonsi:electronvolt">-13.534 -13.534 -13.534</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="3">2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="3">109 109 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="3">Cs Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.868</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">8.45 7.91 7.50 7.21 6.02 5.09 3.24 2.84 2.80 2.72 2.33 2.27 2.18 1.77 1.69 1.62 1.41 1.41 1.34 1.21 1.11 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:z P:y P:y P:z P:y D:x2-y2 D:x2-y2 P:z D:yz D:z2 D:z2 D:yz D:yz D:x2-y2 D:xz D:xz D:yz D:z2 D:xy 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 -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 -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 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">35 52 53 34 38 38 27 22 4 27 18 1 5 1 4 18 21 5 21 21 18 33 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W W O W W W W W W W W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.862</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="24">7.33 7.01 6.42 5.48 4.69 4.50 3.80 3.50 3.50 3.11 2.69 2.53 2.38 2.34 2.09 1.86 1.74 1.63 1.63 1.62 1.28 1.22 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:x P:x P:z P:x P:y P:y P:y D:x2-y2 D:yz D:x2-y2 D:xz P:z D:x2-y2 D:z2 D:yz P:z D:xy P:z P:z D:xy P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">93 64 94 98 64 63 62 63 98 12 9 7 13 62 14 12 14 94 8 93 69 7 101 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O W W W W O 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">-12.827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">188</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.07 5.69 4.50 4.44 4.08 3.87 3.52 3.32 3.19 3.00 2.38 1.92 1.87 1.61 1.46 1.45 1.44 1.42 1.36 1.26 1.25 1.18 1.14 1.06 1.06 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:x P:y P:y P:y P:z P:x P:z P:y D:xz P:z D:x2-y2 P:z P:y D:x2-y2 P:z P:y P:y P:z D:xy P:z P:z P:y P:z D:x2-y2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">33 24 54 54 31 29 31 30 29 30 2 33 1 69 34 3 53 101 38 24 19 99 38 68 35 19 3 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O W O W O O W O O O O W O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.818</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="19">9.28 8.18 6.51 5.95 4.64 4.60 2.95 2.87 2.30 2.20 1.98 1.42 1.34 1.34 1.26 1.21 1.15 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P: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 P:x D:yz P:z P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">69 101 99 68 72 60 72 60 11 16 7 15 12 64 33 10 101 94 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O W W W W W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.773</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="25">9.39 6.64 5.38 5.30 4.84 3.80 3.74 3.19 2.57 2.37 2.05 2.01 1.96 1.82 1.77 1.45 1.21 1.19 1.12 1.10 1.09 1.08 1.08 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:x P:z P:y D:x2-y2 P:x P:x D:xz D:xy D:z2 P:y P:x P:x P:z D:yz P:z P:z D:x2-y2 P:z D:x2-y2 P:z D:x2-y2 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 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">37 85 44 97 85 6 26 77 6 6 6 96 57 28 26 2 44 36 5 77 21 85 104 104 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O W O O W W W O O O O W O O W O W O Tc Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.753</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="21">13.55 9.51 6.39 5.96 3.92 3.26 2.50 2.34 2.26 2.13 1.91 1.86 1.85 1.81 1.72 1.58 1.54 1.53 1.33 1.29 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x D:z2 P:y P:x P:x P:x D:x2-y2 D:x2-y2 D:xz P:y P:z P:z P:x P:z P:z P:x D:z2 P:x D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 4.055 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">70 84 17 83 91 76 61 17 11 17 76 84 91 59 58 61 51 17 92 14 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W O O O O W W W O O O O O O O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.669</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">9.70 9.60 5.14 4.82 3.59 3.29 2.96 2.79 2.44 2.06 2.06 1.88 1.87 1.80 1.50 1.50 1.48 1.46 1.41 1.36 1.18 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:x P:y P:x P:x P:z P:x P:x P:y P:z D:x2-y2 D:xz P:x P:z D:xz P:y P:z D:yz P:z D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -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 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">44 97 57 37 85 28 36 26 46 85 57 4 6 77 28 19 96 26 19 44 22 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O W W O O W O O W O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.643</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">9.98 7.20 5.75 5.33 4.83 4.05 2.99 2.73 2.72 2.32 2.25 2.14 2.08 2.07 1.81 1.50 1.50 1.38 1.34 1.30 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:z P:x P:x P:y P:x D:x2-y2 P:x D:x2-y2 P:y P:z P:z D:yz P:z P:x P:x P:z D:x2-y2 P:z D:xz 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 -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 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">83 76 70 59 84 76 92 16 91 17 71 59 83 9 92 65 61 91 11 58 13 65 51</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 W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.169</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="20">10.27 8.78 6.32 5.66 4.66 4.10 4.02 3.93 3.20 2.80 2.79 2.64 2.57 2.46 2.00 1.78 1.72 1.32 1.19 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:y P:x P:z P:y P:x P:x D:z2 D:x2-y2 D:x2-y2 D:yz P:y P:x D:xy P:y D:yz D:z2 D:x2-y2 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">35 52 33 53 34 24 54 1 18 1 18 54 30 18 30 1 5 22 2 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O W W W W O O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.165</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">7.28 7.18 6.36 6.07 4.60 4.47 4.34 4.31 4.24 3.98 3.47 3.31 2.16 2.06 2.02 1.93 1.70 1.36 1.13 1.10 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:y P:x P:z P:y P:x P:y D:z2 D:x2-y2 P:x D:x2-y2 D:yz P:y D:xy P:z D:xy D:xz D:yz D:z2 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 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</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 1.33 0.80 0.80 1.33 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">93 69 101 98 99 98 94 68 12 7 63 12 7 63 7 93 8 13 12 7 101 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O W W O W W O 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">-12.140</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="23">7.36 6.03 5.48 4.65 4.43 4.09 4.01 3.52 3.27 2.31 2.08 1.96 1.91 1.88 1.62 1.58 1.53 1.37 1.28 1.27 1.26 1.25 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:y P:z P:z P:y P:y D:x2-y2 P:z D:z2 D:yz D:xz D:yz D:x2-y2 P:y P:z P:y P:x D:x2-y2 P:y P:z P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -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="23">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 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">38 38 27 35 27 52 31 22 31 5 4 5 21 4 34 53 29 30 3 54 29 24 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O W O W W W W W 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">-12.131</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="26">8.34 6.21 5.30 4.69 4.60 3.87 3.59 2.83 2.80 2.73 2.39 2.10 1.74 1.66 1.56 1.55 1.42 1.37 1.30 1.26 1.25 1.23 1.17 1.12 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:z P:x P:y P:z P:x D:xz P:z D:yz P:z D:yz P:y D:x2-y2 D:xy P:y P:z D:x2-y2 P:x D:yz D:x2-y2 D:z2 P:y D:x2-y2 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 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">64 62 64 93 72 62 98 13 72 9 99 14 60 14 8 98 69 8 94 10 11 16 63 15 60 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W O W O W O W W O O W O W W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.110</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="25">7.04 3.70 3.21 3.18 2.76 2.72 2.60 2.49 2.38 2.13 2.06 2.02 1.99 1.88 1.80 1.55 1.52 1.51 1.44 1.23 1.21 1.12 1.09 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:z P:z P:y P:x P:y P:z P:z P:y P:y D:xz P:x P:y P:z D:x2-y2 P:x D:xz P:x D:x2-y2 P:x D:yz 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 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.00 1.33 1.00 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">40 33 52 40 35 101 24 34 69 53 68 54 104 54 30 99 104 39 105 93 1 30 1 33 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O Tc O O O Tc O Tc O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.068</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="24">8.26 7.29 5.50 4.65 4.12 3.78 3.38 2.66 2.54 2.31 2.27 2.15 2.15 1.91 1.85 1.83 1.71 1.46 1.42 1.38 1.28 1.26 1.22 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:y P:z P:y P:x P:z P:y D:xz D:yz P:z P:z P:x P:y P:y P:x D:yz D:x2-y2 D:z2 D:x2-y2 P:y P:z P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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="24">31 31 29 29 38 33 38 27 2 20 27 35 24 54 52 54 3 3 20 22 96 36 33 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W W O O O O O O 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">-12.067</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="24">6.49 4.57 4.37 3.69 3.53 3.14 3.11 3.08 2.98 2.92 2.52 2.47 2.30 2.24 1.93 1.84 1.75 1.59 1.42 1.29 1.28 1.23 1.22 1.19</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:z P:x P:z P:y P:x P:y P:x P:x P:z P:y P:y P:x P:x D:yz P:y P:x D:x2-y2 D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">101 69 68 52 93 35 98 99 98 94 34 63 33 53 63 54 24 54 7 30 30 12 12 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-12.055</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">10.29 6.39 6.24 5.27 5.14 3.98 3.50 3.33 3.31 3.06 2.72 2.31 2.24 2.23 2.15 1.58 1.46 1.28 1.17 1.15 1.10 1.07 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:z P:y P:z P:z P:y P:z P:z P:x P:y D:z2 D:x2-y2 P:z D:x2-y2 P:y D:xz D:yz D:xz P:x D:yz P:x D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -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="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 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="24">72 60 72 64 69 60 62 99 64 93 101 16 11 62 15 68 10 10 13 94 15 98 10 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W W O W O 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">-12.000</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="23">8.11 6.64 3.99 3.76 3.75 3.44 3.35 3.13 2.94 2.92 2.42 2.39 2.29 1.87 1.71 1.56 1.40 1.29 1.28 1.26 1.21 1.19 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:x P:x P:x P:x P:x P:z P:y P:z P:x D:x2-y2 P:x P:y D:xz P:z P:z P:z D:xz D:xy D:xy D:x2-y2 D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -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="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 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="23">26 57 44 28 77 85 26 85 57 46 5 42 42 19 44 77 28 22 2 6 4 21 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W O O W O 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">-11.990</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="20">6.32 5.47 4.52 3.84 3.11 3.03 2.79 2.62 2.58 2.03 1.87 1.64 1.49 1.34 1.32 1.31 1.13 1.11 1.11 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:x P:y P:x P:x P:z P:z P:z P:y P:z D:x2-y2 P:z P:x D:xz P:x P:z D:z2 D:yz D:xz 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">59 91 83 92 61 59 91 70 71 92 16 58 40 8 84 61 11 9 11 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O W O O W O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.985</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="23">8.68 3.86 2.64 2.42 2.30 2.11 1.97 1.84 1.83 1.82 1.55 1.51 1.48 1.34 1.28 1.20 1.19 1.16 1.14 1.11 1.06 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z D:xz D:x2-y2 P:z P:x P:x D:xz P:z P:y P:x P:x P:y P:y P:y P:y P:x P:x P:z P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.00 1.00 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">40 40 104 104 70 44 91 105 58 101 85 33 42 52 96 40 54 30 35 93 46 54 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O Tc Tc O O O Tc O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.955</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="25">4.98 4.76 3.08 2.92 2.76 2.51 2.18 2.18 2.12 2.05 1.86 1.84 1.84 1.49 1.40 1.39 1.38 1.35 1.34 1.23 1.14 1.11 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:x P:x P:x P:z P:z P:x P:y P:x P:z P:x P:z P:z P:z P:z P:z P:z P:x P:y P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">57 26 91 59 28 77 70 57 44 83 92 59 61 28 97 36 91 58 26 46 96 85 77 71 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.943</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="21">8.74 4.64 3.72 3.03 2.90 2.33 2.24 2.11 2.09 1.98 1.96 1.92 1.77 1.69 1.54 1.49 1.46 1.36 1.32 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">P:y P:y P:x P:x P:x P:x P:x P:x D:x2-y2 P:z P:x P:x P:x P:y P:z P:z D:z2 P:z D:yz 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 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">96 37 77 59 91 57 26 61 104 59 44 92 46 83 77 91 104 70 20 57 92</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 Tc O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.939</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">207</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">11.65 6.17 5.49 5.36 2.86 2.30 2.07 1.98 1.85 1.78 1.69 1.64 1.58 1.40 1.26 1.22 1.10 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:z D:z2 P:y D:xz P:x P:y P:z P:x P:x D:x2-y2 P:x P:y D:z2 P:x P:y P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">36 97 104 96 104 28 42 28 42 46 104 85 37 6 40 85 46 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O Tc O Tc O O O O O Tc O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.829</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="19">14.69 9.38 5.90 5.64 4.47 4.20 3.71 2.96 2.80 2.64 2.53 2.46 1.97 1.91 1.90 1.81 1.51 1.20 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">P:x P:z P:x P:z D:xz P:z P:x P:x D:z2 D:x2-y2 P:y D:z2 D:z2 D:x2-y2 D:xy P:y P:y D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -6.681 -6.681 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 0.80 1.33 1.00 0.80 1.00 1.00 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">51 58 84 70 105 51 61 65 17 15 71 105 15 105 105 65 83 8 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O Tc O O O W W O Tc W Tc Tc O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.793</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="24">7.07 4.44 4.26 4.24 3.51 3.41 2.86 2.82 2.62 2.06 1.95 1.94 1.90 1.54 1.53 1.49 1.47 1.24 1.23 1.15 1.14 1.11 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:z P:x P:y P:y P:y P:x P:z P:x P:x P:y S P:x D:xy P:z P:x D:x2-y2 D:yz P:y P:x D:x2-y2 D:x2-y2 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 -5.054 -9.089 -6.681 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -6.681 -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 2.00 1.33 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.00 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">36 65 96 71 65 44 97 76 46 83 104 40 105 37 85 10 6 97 92 105 17 76 37 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O Tc O Tc O O W W O O Tc W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.725</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="25">4.16 4.01 3.39 3.09 2.72 2.38 2.17 2.15 2.11 2.11 1.79 1.71 1.54 1.51 1.43 1.36 1.35 1.34 1.30 1.22 1.08 1.05 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:x P:y S P:x P:x P:z D:x2-y2 D:x2-y2 P:x P:z D:yz P:y P:y P:x P:z S P:z P:x D:yz P:y 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 -5.054 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -5.054 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 2.00 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 2.00 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">76 65 65 40 71 105 51 84 83 17 10 92 37 6 97 83 60 40 104 36 73 17 70 96 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O Tc O O O W W O O W O O O O Tc O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.681</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="32">3.64 3.47 2.80 2.61 2.56 2.10 2.08 2.07 2.02 1.96 1.91 1.70 1.69 1.63 1.57 1.55 1.54 1.44 1.34 1.34 1.28 1.26 1.21 1.21 1.20 1.17 1.14 1.12 1.11 1.08 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:z D:xy P:x P:x P:x P:y P:x P:z P:x D:xy P:y P:y P:z D:xz P:z D:xy P:x P:x D:z2 D:xz P:z P:z P:y P:z P:y P:z D:yz D:yz D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -6.681 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.00 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">44 85 4 34 38 53 57 52 26 35 6 97 28 54 21 77 22 37 27 20 1 33 30 46 42 33 24 6 104 2 36 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O W O O O O O O O W O O O W O W O O W W O O O O O O W Tc W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.649</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="34">3.30 3.21 3.15 3.09 2.99 2.85 2.54 2.45 2.18 2.08 2.06 2.02 1.85 1.83 1.82 1.67 1.64 1.62 1.60 1.55 1.53 1.47 1.47 1.46 1.43 1.37 1.37 1.30 1.29 1.20 1.18 1.17 1.15 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y D:yz P:y P:z P:x P:x P:z P:y D:xy D:xz P:x P:x D:z2 P:y P:y D:xz D:xy D:yz P:x D:xy P:z P:z P:y P:x P:x P:x P:z P:z D:z2 P:y P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">70 17 84 76 101 69 63 83 11 12 68 99 9 61 94 16 15 14 72 7 64 83 71 60 59 83 70 92 13 91 65 51 93 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O W O O O O O O W W O O W O O W W W O W 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">-11.449</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">213</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.87 6.22 5.08 4.41 2.07 2.07 2.02 1.94 1.74 1.46 1.43 1.37 1.35 1.33 1.31 1.28 1.25 1.19 1.10 1.10 1.09 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:z P:y P:y P:z P:y P:z D:yz P:z D:yz D:yz P:y D:yz D:z2 P:y P:z P:y P:z D:xy P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 10.371 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">39 39 50 47 41 52 35 41 1 24 18 22 30 5 106 50 23 49 87 104 48 75 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O W O W W O W P 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">-11.429</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="16">5.70 3.70 3.64 2.48 2.25 2.02 1.99 1.65 1.54 1.40 1.34 1.20 1.20 1.12 1.01 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:x P:z P:y P:x P:y P:y D:xz P:x D:x2-y2 P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">47 50 50 47 31 82 78 41 50 77 20 39 3 39 54 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">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">-11.424</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="23">5.60 5.49 4.82 3.31 2.58 2.53 2.48 1.82 1.71 1.43 1.41 1.40 1.39 1.38 1.37 1.35 1.35 1.28 1.21 1.18 1.10 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:z P:z P:y P:z P:y P:y P:z D:yz D:x2-y2 D:yz P:y P:z D:yz D:x2-y2 P:y P:z P:z P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">75 78 73 75 73 82 82 98 69 93 16 8 12 90 101 7 12 93 94 78 63 13 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W W W O O W W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.418</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="19">5.20 4.33 4.27 3.15 2.85 2.66 2.24 1.66 1.66 1.61 1.51 1.49 1.47 1.40 1.36 1.30 1.18 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:x P:y P:y P:x P:z P:x P:x P:z P:y D:xz P:z P:z D:z2 P:x P:z D:yz 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 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 10.371 -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 0.80 1.33 1.33 0.80 1.33 1.33 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">82 82 78 47 78 50 64 98 72 92 9 61 78 15 93 73 107 14 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O W O O W O O P W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.353</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="18">4.51 4.46 4.06 3.98 2.16 2.01 2.01 1.87 1.68 1.61 1.42 1.30 1.24 1.23 1.17 1.14 1.11 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:x P:z P:y P:y P:z P:z P:y D:xz P:z P:y P:z D:xy P:z P:x P:x P:z D:xy</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 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">50 47 41 41 39 47 33 54 1 39 24 30 104 26 52 96 34 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O W O O O Tc O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.340</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="10">6.87 4.95 4.75 3.29 3.27 2.84 2.19 1.38 1.30 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">P:x P:x P:z P:y P:x P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">39 82 75 75 78 50 47 64 47 99</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.305</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="22">4.33 4.11 4.07 3.97 3.42 2.62 2.60 2.06 1.90 1.83 1.80 1.71 1.66 1.35 1.28 1.20 1.18 1.04 1.02 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:x P:z P:y P:z P:z P:y P:z P:z D:xy D:z2 P:y P:x P:z D:xz P:z P:x P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">75 82 78 75 73 82 78 93 98 73 12 7 99 59 68 7 101 47 91 94 69 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O W W O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.253</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="22">5.62 4.60 4.34 3.01 2.95 2.45 2.22 2.20 2.16 2.15 2.01 1.99 1.97 1.94 1.69 1.58 1.50 1.46 1.31 1.22 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:x P:z P:y P:x P:z P:x P:z P:y P:y P:y P:x P:y P:x P:z D:yz P:x 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 -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">1.33 1.33 1.33 1.33 1.33 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">41 41 50 36 96 47 44 39 34 26 85 39 37 53 97 39 2 54 57 37 47 27</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 O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.233</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">221</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">10.01 3.46 2.67 2.36 2.35 2.33 2.31 2.21 2.19 2.14 1.97 1.91 1.84 1.71 1.63 1.58 1.50 1.49 1.41 1.34 1.29 1.27 1.24 1.16 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:z P:x P:y P:y D:xy P:x D:xz P:y P:y P:z P:x P:y P:y P:z P:x P:z P:x P:x P:x P:z P:y P:x P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 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">73 84 82 63 78 75 16 51 11 83 65 91 75 59 76 75 94 70 65 62 78 74 69 89 83 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O W O O O O O O O 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">-11.170</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">222</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">5.95 4.75 4.48 4.10 4.02 3.86 3.51 3.42 3.17 2.37 2.36 2.30 2.29 2.18 2.07 2.00 1.90 1.64 1.54 1.44 1.38 1.34 1.28 1.27 1.27 1.23 1.14 1.13 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:y D:xy P:y P:z D:xz P:z P:x P:x P:z P:y D:yz P:x D:xy D:xy P:z P:x D:x2-y2 D:xz P:x D:yz P:y D:xz P:z D:x2-y2 D:z2 D:z2 D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">38 27 44 22 46 85 5 42 35 85 26 57 104 52 6 4 44 29 21 4 42 6 85 21 33 6 6 5 2 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O W O O W O O O O O Tc O W W O O W W O W O W O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.140</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">223</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="35">5.04 4.71 4.68 3.39 3.33 3.27 2.70 2.53 2.42 2.31 2.06 1.90 1.76 1.75 1.72 1.68 1.62 1.58 1.47 1.45 1.42 1.39 1.33 1.33 1.32 1.32 1.30 1.20 1.20 1.19 1.14 1.10 1.09 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:x P:x P:y D:xz P:x P:z P:y P:y P:x P:y D:xy D:xz D:xy D:xy D:xz D:z2 D:xy P:x P:x P:y P:y D:z2 P:z D:x2-y2 P:y P:x P:z P:x P:x D:x2-y2 D:yz P:x D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               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 -4.492 -4.492 -4.492 -4.492 -4.492 -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 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">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 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">54 35 52 57 1 34 30 53 33 97 28 4 19 22 18 18 18 1 33 37 30 54 6 85 19 31 50 24 26 53 18 19 57 21 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O W O O O O O O W W W W W W W O O O O W O W O O O O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.138</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">5.63 3.83 3.64 3.12 2.47 2.32 2.30 2.28 2.26 2.25 2.13 2.07 1.94 1.88 1.86 1.80 1.75 1.70 1.63 1.62 1.56 1.42 1.41 1.41 1.30 1.27 1.12 1.12 1.11 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:z P:z D:yz D:z2 D:z2 P:x P:x P:x D:xy P:y P:y D:x2-y2 D:yz P:z P:y P:z D:z2 P:x P:x D:yz P:z P:y D:xy P:y D:z2 P:x P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -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 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">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 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">91 70 64 83 11 13 9 62 101 98 11 61 58 8 17 59 64 60 14 60 93 14 62 98 16 59 16 72 71 92 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O W W W O O O W O O W W O O O W O O W 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">-11.130</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="29">4.86 4.37 4.15 2.82 2.72 2.55 2.38 2.32 2.22 2.02 1.96 1.92 1.85 1.56 1.54 1.53 1.49 1.43 1.35 1.34 1.19 1.12 1.08 1.04 1.04 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:y P:z D:yz D:z2 P:y D:z2 D:z2 P:z P:y P:y P:x P:z D:xy D:xy P:z P:z D:xy D:yz P:z P:y P:z P:y P:y D:yz D:z2 P:x D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.00 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">96 36 31 104 3 97 20 2 37 24 31 29 26 20 2 33 77 19 6 29 35 34 41 44 3 1 37 6 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O Tc W O W W O O O O O W W O O W W O O O O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.124</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="25">6.97 5.86 5.74 4.40 3.85 3.76 3.65 2.76 2.60 2.48 2.31 2.12 2.10 1.79 1.76 1.64 1.63 1.38 1.30 1.29 1.19 1.15 1.06 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z D:xz P:x P:x P:z P:z D:xz P:y P:y P:x P:z D:xy P:x P:z D:z2 D:xz P:y P:x D:xy D:z2 D:xy D:xz P:x 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 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">69 93 12 101 99 59 63 16 94 98 68 98 7 70 76 13 7 91 83 11 16 17 14 92 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O W O O O O W O O O O W O O W W O O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-11.080</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="15">6.34 3.01 1.58 1.49 1.45 1.42 1.31 1.25 1.17 1.13 1.11 1.09 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:z P:y D:yz P:z P:y P:y D:z2 P:x P:x P:x D:xy P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">40 40 99 17 68 70 51 7 30 39 71 12 93 75 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O W 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">-11.042</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">228</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.96 3.70 3.17 3.15 2.99 2.94 2.73 2.58 2.54 2.10 1.98 1.77 1.73 1.72 1.67 1.49 1.31 1.29 1.24 1.19 1.13 1.09 1.08 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:x D:yz D:xy P:x P:z P:y P:x P:x P:y P:x D:xz P:z P:x P:y P:z D:xy P:z D:xy P:x P:y D:xy P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">72 84 65 17 15 64 76 51 40 51 70 68 10 71 60 58 83 14 65 10 99 61 11 93 83</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O W W O O O O O O O W O O O O W O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.924</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="11">1.85 1.50 1.46 1.28 1.26 1.22 1.22 1.21 1.09 1.04 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 D:x2-y2 D:yz D:xz D:z2 P:z P:y P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -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="11">0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">20 2 5 3 19 52 35 36 38 54 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">W W W W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.888</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="13">2.59 2.16 1.87 1.81 1.69 1.68 1.16 1.09 1.07 1.05 1.05 1.04 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">D:yz P:y D:x2-y2 P:y P:z D:yz D:xz P:x P:x D:x2-y2 P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">16 69 9 76 101 11 14 70 40 7 80 93 84</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">W O W O O W W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.720</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="24">3.69 3.28 2.99 2.88 2.79 2.73 2.72 2.63 2.13 2.00 1.76 1.71 1.64 1.48 1.39 1.36 1.33 1.30 1.17 1.13 1.08 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:x P:y P:y P:z P:z D:z2 D:z2 P:z D:xy P:x D:xy D:yz D:xy P:x P:y P:x P:y P:z P:x P:x P:y D:yz D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -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="24">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 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="24">31 43 38 38 81 4 21 34 1 30 3 4 6 37 53 55 97 44 29 48 32 6 18 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W W O W O W W W 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">-10.708</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="18">2.85 2.71 2.44 2.34 2.23 1.71 1.57 1.55 1.50 1.46 1.46 1.37 1.28 1.26 1.12 1.07 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">P:z P:x P:y D:xy P:x P:z P:y D:xy D:z2 P:z P:z D:xy D:xy P:y P:z P:x P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -6.681 -6.681 -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="18">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.00 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">40 42 40 17 46 84 94 104 104 34 58 5 7 76 74 50 53 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O W O O O Tc Tc 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">-10.700</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">233</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">2.63 2.23 2.20 1.81 1.81 1.76 1.73 1.73 1.59 1.41 1.39 1.36 1.23 1.22 1.13 1.12 1.10 1.07 1.05 1.03 1.02 1.01 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">D:xy P:x P:x P:y P:z P:z P:z P:x D:xy D:x2-y2 P:z P:y P:y P:z D:yz P:y P:x P:y D:z2 D:z2 D:x2-y2 D:xy D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-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 -4.492 -9.089 -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="24">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 0.80 1.33 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="24">17 64 42 94 68 74 27 83 7 9 84 84 99 53 15 88 99 40 10 7 20 14 5 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W O O O O O O O W W O O O O W O 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">-10.686</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">234</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">1.92 1.82 1.43 1.36 1.34 1.33 1.33 1.31 1.28 1.24 1.22 1.18 1.15 1.07 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:x P:z D:xy D:z2 D:xy P:x P:z P:x P:z P:z P:y P:y D:xz P:y D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">62 40 72 6 10 14 64 67 37 46 100 37 63 22 88 1 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O W W W O O O O O O O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.665</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="18">2.40 2.30 2.26 2.00 1.88 1.57 1.48 1.40 1.34 1.31 1.21 1.13 1.12 1.10 1.09 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:z2 P:x P:z P:x P:z P:z D:z2 P:z P:z P:y P:y D:yz P:x D:xy P:z D:yz D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 34 84 97 100 24 19 74 86 37 42 18 37 6 30 1 22 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W O O O O O W O O O O W O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.653</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="18">2.11 1.73 1.65 1.35 1.26 1.23 1.22 1.19 1.19 1.18 1.15 1.12 1.11 1.07 1.07 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:x P:y D:yz P:y P:x D:yz P:x D:xy P:z D:xy P:x D:xz P:z P:x D:xy D:z2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-9.089 -9.089 -6.681 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.00 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">36 76 104 35 27 5 96 17 77 4 34 3 84 40 20 21 46 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O Tc O O W O W O W O W O O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.644</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="19">5.55 4.12 3.13 2.76 2.28 2.22 2.16 1.68 1.58 1.58 1.22 1.21 1.18 1.15 1.12 1.11 1.11 1.10 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:x D:z2 P:y P:x P:x P:y D:z2 P:x P:z P:x D:xy P:x D:xy P:y P:z P:y D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">97 100 6 53 46 24 76 18 27 44 39 17 30 19 41 63 34 6 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O W O O O O W O O O W O W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.632</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">238</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">2.46 2.20 2.09 1.94 1.83 1.74 1.63 1.50 1.46 1.45 1.43 1.42 1.40 1.37 1.23 1.23 1.23 1.22 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:y P:z P:x P:z D:xy D:xy P:y P:y D:xz P:y P:z D:z2 P:y P:y D:xz D:xy P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">92 68 94 99 61 14 10 63 30 7 60 24 12 69 79 15 12 90 101 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O W W O O W O O W O O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.628</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="27">3.36 2.68 2.51 2.05 2.03 1.97 1.70 1.63 1.61 1.58 1.54 1.42 1.37 1.36 1.27 1.27 1.19 1.15 1.14 1.14 1.12 1.12 1.09 1.07 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:z D:xy P:y P:y P:z P:y P:z P:x P:z P:z P:y D:xz P:y P:y D:xz D:xz P:z P:y P:y D:xy D:x2-y2 P:z P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -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="27">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">30 24 3 47 29 50 77 28 48 29 46 81 18 39 32 22 20 23 24 49 18 1 55 30 42 43 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O O O O O O O O O W O O W W O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.620</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="30">2.39 2.27 2.26 2.25 2.11 2.02 2.01 1.58 1.55 1.50 1.50 1.47 1.42 1.38 1.37 1.35 1.26 1.26 1.23 1.21 1.18 1.18 1.17 1.11 1.10 1.06 1.05 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z D:xz D:xy D:x2-y2 P:y P:y P:z P:y P:y P:z P:x P:x P:z P:y P:z D:x2-y2 P:x D:xz P:z P:z D:yz P:x D:yz D:xy P:x D:xz D:z2 D:xy P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-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 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">74 14 13 17 74 76 63 62 61 99 61 92 71 58 62 7 70 12 76 84 11 98 17 9 68 8 17 15 83 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O W W W O O O O O O O O O O O W O W O O W O W W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.565</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="22">1.96 1.81 1.79 1.73 1.64 1.64 1.56 1.50 1.46 1.43 1.41 1.34 1.33 1.32 1.30 1.29 1.24 1.17 1.16 1.11 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z D:z2 P:y P:x P:y P:x P:z P:y P:z P:y P:z P:y P:y P:z D:z2 D:z2 P:y P:z D:yz P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">25 62 8 60 71 75 58 60 80 75 73 56 59 62 89 12 11 68 99 13 79 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O W O O O O O O O O O O O O W W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.550</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">2.80 2.41 2.36 1.94 1.84 1.50 1.39 1.37 1.36 1.28 1.23 1.22 1.20 1.14 1.13 1.08 1.06 1.04 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 D:xz P:y P:x P:z P:z P:y P:y P:x P:z D:xz P:x P:x P:z D:xy D:xy D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">28 43 4 27 77 44 92 92 41 62 26 3 83 81 62 4 9 13 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O W O O O O O O O O W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.542</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">2.47 2.24 2.15 1.88 1.81 1.78 1.72 1.69 1.57 1.55 1.50 1.46 1.40 1.23 1.18 1.16 1.14 1.11 1.06 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 P:x P:x P:x P:z D:x2-y2 P:x P:y P:x D:xz P:y D:xy D:xz D:z2 P:z P:x P:x P:z P:y 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 -4.492 -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 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">70 40 62 51 44 13 84 25 56 14 68 8 4 6 66 46 43 46 75 97 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O W O O O W O W W W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.529</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="21">4.32 3.07 2.35 2.32 2.15 1.87 1.75 1.74 1.68 1.64 1.60 1.59 1.57 1.53 1.52 1.47 1.29 1.22 1.13 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y D:yz P:x D:yz P:y P:z P:y P:x P:z P:z D:x2-y2 P:y P:y P:z P:y D:xy P:z P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -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="21">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 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="21">85 37 5 24 22 23 96 27 81 27 49 21 31 40 40 54 20 44 96 29 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W O W O O O O O O W O O O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.511</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="21">3.54 3.30 3.19 2.44 1.88 1.78 1.78 1.72 1.67 1.63 1.61 1.44 1.38 1.29 1.26 1.16 1.15 1.06 1.06 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z D:xz P:z P:x P:y P:y P:x P:x D:xz P:x P:x P:x P:x P:y P:x P:x D:xz D:xz D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">61 66 14 75 58 92 75 70 25 15 91 83 88 63 95 67 71 10 9 17 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W O O O O O O W O O O O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.494</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="24">2.37 2.00 1.97 1.97 1.97 1.92 1.78 1.72 1.67 1.53 1.42 1.34 1.31 1.27 1.24 1.21 1.15 1.04 1.03 1.03 1.03 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">D:yz P:x P:x P:z P:y P:x P:x P:y P:z P:x P:z P:z P:y P:y P:z P:y P:z P:y P:x P:z D:yz D:x2-y2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               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 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">6 24 53 37 31 39 30 97 40 100 31 96 36 54 33 43 81 40 34 38 5 2 21 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W O O O O O O O O O O O O O O O O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.476</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="27">4.74 2.57 2.19 2.16 2.11 2.03 1.82 1.75 1.74 1.73 1.72 1.54 1.49 1.45 1.45 1.45 1.44 1.43 1.40 1.33 1.30 1.29 1.28 1.21 1.16 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z P:y P:y P:z P:y D:yz D:xy P:y P:z P:x D:x2-y2 P:z P:y P:z P:x D:yz P:x P:y P:x P:y P:y P:y P:z D:x2-y2 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 -4.492 -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 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">72 94 99 63 101 84 68 15 14 88 67 64 10 72 76 68 65 10 51 72 69 84 66 51 69 17 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O W W O O O W O O O O W O O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.443</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">248</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.31 3.22 2.76 2.56 2.44 2.19 2.04 2.02 1.91 1.70 1.68 1.43 1.42 1.37 1.35 1.30 1.20 1.18 1.18 1.14 1.12 1.09 1.07 1.05 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:y P:y P:x P:y D:yz P:x D:xy P:y P:y P:y P:y D:xy P:y D:x2-y2 P:x D:xy P:x P:z D:x2-y2 P:z D:yz D:xz P:x 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">29 86 29 31 96 19 54 2 37 30 35 34 3 45 2 77 19 24 53 20 29 5 3 27 19 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O W O O O O W O W O W O O W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.438</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="29">3.98 3.58 2.98 2.79 2.79 2.66 2.47 2.33 2.20 2.08 2.05 1.95 1.85 1.66 1.63 1.62 1.51 1.49 1.44 1.43 1.42 1.40 1.40 1.38 1.17 1.17 1.14 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz P:z D:yz P:y P:y P:y P:x P:z P:y P:x P:z D:z2 P:y D:yz D:xy P:y P:y P:x P:y P:x P:z P:z D:xz P:z P:x P:y P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -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 -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="29">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 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 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">16 60 11 89 68 60 98 80 69 93 99 10 63 8 14 62 25 60 88 84 101 72 9 67 62 66 72 15 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W O W O O O O O O O O W O W W O O O O O O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.431</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="22">2.95 2.85 2.51 1.96 1.90 1.81 1.73 1.60 1.56 1.46 1.26 1.23 1.23 1.21 1.21 1.20 1.13 1.12 1.12 1.12 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:z P:z P:z D:x2-y2 D:yz D:z2 P:y P:y P:x P:y P:y D:z2 P:z D:x2-y2 D:z2 P:z P:y D:z2 P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -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 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">36 97 57 45 18 2 19 26 54 30 33 48 2 34 4 1 52 49 22 87 53 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W W W O O O O O W O W W O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.398</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">251</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.24 4.00 2.72 2.52 2.43 2.33 2.18 1.92 1.73 1.69 1.65 1.65 1.59 1.34 1.32 1.15 1.12 1.09 1.07 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy P:x P:x D:xz P:x P:y P:x P:x P:z P:x D:z2 P:x P:z D:yz P:y P:z P:z P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">16 76 84 11 80 59 89 91 57 65 8 51 25 13 26 91 101 90 59 59 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W O O W O O O O O O W O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.349</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">3.65 3.53 2.51 2.43 2.42 2.18 2.15 2.12 2.03 1.95 1.84 1.77 1.69 1.65 1.52 1.44 1.40 1.18 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:y P:x P:z P:y P:z P:x P:x D:xz P:x D:z2 P:z P:z P:z P:y P:y P:y P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">27 27 36 53 38 86 96 55 3 32 19 35 38 57 40 45 26 62 32 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O W O W O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.318</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="22">2.92 2.73 2.38 1.71 1.58 1.53 1.44 1.41 1.30 1.28 1.25 1.24 1.21 1.16 1.15 1.15 1.14 1.06 1.05 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:z P:x P:x P:x P:z D:xy D:z2 P:x P:z P:x P:y D:xy P:y P:x P:y D:x2-y2 P:z D:z2 P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">30 24 29 33 38 71 3 8 24 29 31 37 5 68 27 46 19 46 2 26 58 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W W O O O O W O O O W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.291</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">4.09 2.73 2.26 2.04 1.91 1.89 1.84 1.71 1.56 1.52 1.52 1.43 1.42 1.39 1.31 1.18 1.14 1.13 1.12 1.08 1.06 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:x P:x P:z P:z P:z P:y P:x P:y D:xy D:z2 D:xz P:z P:x P:x P:y P:y D:z2 P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -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="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 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="23">68 37 84 60 60 99 97 101 24 96 11 10 16 29 33 72 78 58 14 64 99 71 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W W 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">-10.280</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">2.72 2.63 2.62 2.59 2.55 2.14 1.93 1.70 1.57 1.55 1.51 1.46 1.41 1.36 1.32 1.21 1.08 1.04 1.03 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 P:z P:x P:z P:y P:y P:y P:z D:x2-y2 D:xz P:y D:x2-y2 P:x P:z P:y P:x P:y P:y P:x D:yz D:z2 P:z</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 -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</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">7 62 63 68 62 99 64 67 12 15 65 10 76 90 88 88 92 60 67 12 15 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W O O O O O O O W W O W 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">-10.266</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">256</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.21 3.60 2.99 2.59 2.57 2.45 2.34 2.16 2.10 2.09 1.96 1.91 1.76 1.65 1.56 1.45 1.42 1.40 1.39 1.29 1.27 1.27 1.19 1.03 1.02 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:z P:x P:y P:x P:x P:z P:y P:y P:z P:y D:z2 P:y P:y D:z2 P:x P:x P:x D:x2-y2 P:z P:y D:z2 D:z2 P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089 -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="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 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">77 29 31 30 28 26 57 29 31 24 34 42 1 53 30 104 28 54 24 18 81 43 3 4 87 48 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O W O O Tc O O O W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.256</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="21">3.82 2.77 2.37 2.26 2.04 1.92 1.72 1.59 1.57 1.52 1.52 1.50 1.49 1.48 1.33 1.21 1.21 1.15 1.13 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: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 P:y P:y P:x P:y D:xy P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">84 51 97 94 76 37 70 68 68 53 63 36 65 101 83 100 34 10 58 65 52</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 O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.237</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="26">4.66 3.57 3.32 2.94 2.53 2.36 2.21 2.21 2.11 2.10 2.00 1.98 1.90 1.88 1.85 1.79 1.59 1.56 1.38 1.23 1.19 1.12 1.07 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 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:z P:x P:z P:z P:z P:z P:x P:y P:x P:x P:z P:y D:xz P:z P:z P:y P:x P:z P:z P:x D:xy P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">60 72 99 92 72 68 69 58 76 99 61 94 60 93 10 98 59 62 79 61 65 66 15 73 69 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O W O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">259</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.47 3.01 2.48 1.77 1.71 1.68 1.62 1.61 1.61 1.60 1.56 1.56 1.52 1.47 1.44 1.44 1.36 1.34 1.29 1.29 1.18 1.07 1.07 1.07 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:y P:z P:x P:y P:z D:xy P:x P:x P:y P:y P:x P:x P:z P:x P:x P:y P:y P:z P:x P:y D:z2 P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">30 41 41 46 40 58 1 24 87 29 24 85 42 29 48 44 31 34 40 91 73 104 37 31 61 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O O O O O O O O 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">-10.174</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="15">9.74 8.91 6.25 6.11 3.01 2.00 2.00 1.38 1.31 1.29 1.26 1.25 1.19 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:z P:y P:z P:y P:x P:x P:x D:yz P:x P:x P:z P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">53 34 35 52 94 100 63 104 93 26 42 98 63 77 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O Tc O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.147</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="19">3.78 3.03 2.55 2.55 2.39 2.37 2.16 1.69 1.63 1.55 1.52 1.50 1.38 1.37 1.28 1.18 1.11 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x P:y P:z P:z P:z P:z P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">62 64 27 62 66 95 27 34 94 93 38 58 70 64 82 52 38 79 90</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">-10.136</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="24">6.30 4.51 4.12 3.78 3.44 2.88 2.64 2.31 2.20 2.11 1.88 1.81 1.48 1.47 1.46 1.31 1.27 1.23 1.19 1.18 1.16 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:x P:y P:y P:x P:x P:y P:x P:z P:x P:z P:y P:z P:z P:z P:x P:z P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">94 53 63 63 98 84 93 34 98 35 76 93 52 97 75 94 44 70 74 37 51 64 83 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.119</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="20">3.16 2.92 2.78 2.73 2.42 2.17 2.06 2.06 1.95 1.94 1.85 1.70 1.68 1.60 1.56 1.54 1.47 1.39 1.33 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:x P:y P:z P:y P:x P:y P:x P:y P:x P:z P:y P:y P:x P:z P:y P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">27 32 62 52 27 94 38 93 64 55 62 48 34 50 87 35 82 47 88 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.102</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">264</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.11 2.36 2.22 2.02 1.83 1.79 1.71 1.65 1.57 1.56 1.53 1.49 1.49 1.45 1.39 1.37 1.24 1.19 1.14 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:x P:z P:y P:x P:x P:z P:y P:z P:z P:y D:yz P:z D:xz P:x D:xy P:y P:z P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">42 77 44 43 49 50 26 46 47 70 42 46 5 58 1 85 104 35 26 30 53 24 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O W O W O Tc O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.083</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">265</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">4.43 4.06 3.60 2.33 2.25 1.95 1.86 1.74 1.72 1.62 1.59 1.51 1.51 1.45 1.32 1.32 1.30 1.29 1.29 1.28 1.24 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:y P:z P:x P:z P:y P:y P:z P:x P:x D:xy P:z P:y P:z P:y P:y P:y P:x P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 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="23">100 85 42 44 49 38 43 100 33 27 23 5 46 44 49 54 46 26 42 85 42 55 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.067</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="24">3.40 3.25 2.30 2.00 1.66 1.64 1.62 1.42 1.41 1.35 1.35 1.29 1.26 1.26 1.23 1.20 1.15 1.14 1.14 1.13 1.08 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:z P:z P:y P:x P:z P:z P:x P:x P:x P:x P:z P:z P:x P:y P:z P:x P:y P:y P:x P:x 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">57 28 45 28 71 32 82 23 55 26 46 47 44 89 59 80 46 91 67 73 81 61 88 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 O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.059</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">267</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">5.39 3.09 2.81 2.49 2.35 2.34 2.09 1.95 1.80 1.78 1.72 1.47 1.37 1.31 1.29 1.29 1.21 1.20 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:z D:x2-y2 P:z P:z P:x P:z P:z P:y P:z P:y P:y P:y P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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="19">74 91 99 8 88 25 61 83 64 101 95 65 58 76 62 68 67 98 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">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">-10.048</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">4.53 3.21 2.85 1.97 1.89 1.59 1.58 1.56 1.52 1.28 1.18 1.09 1.07 1.04 1.03 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:z P:z P:z P:x P:z P:x P:z P:x P:x P:y P:x P:y P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">74 70 58 61 50 26 43 58 54 43 87 48 47 42 91 81</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">-10.035</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="20">3.50 3.32 3.29 2.34 2.20 2.11 1.98 1.96 1.94 1.75 1.68 1.50 1.48 1.46 1.32 1.19 1.13 1.12 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:y P:z P:x P:y P:z P:x P:z P:z P:x P:x P:x D:xy 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="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 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="20">71 89 95 83 58 61 79 74 59 25 58 9 82 57 46 25 92 81 91 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.026</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="22">5.13 4.50 4.15 3.26 2.53 2.43 2.33 2.32 2.21 1.81 1.70 1.61 1.46 1.34 1.34 1.28 1.20 1.18 1.10 1.10 1.08 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:y P:x P:z P:y P:y D:xz P:x P:y D:z2 P:z P:x P:x P:x P:y P:x P:y P:y P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 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="22">66 90 92 59 78 71 14 95 56 13 101 78 82 70 69 84 80 89 68 60 66 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W O O W O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-10.016</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="28">6.35 3.81 3.47 3.24 3.00 2.48 2.28 2.22 1.94 1.90 1.70 1.69 1.67 1.66 1.58 1.45 1.38 1.35 1.33 1.33 1.31 1.31 1.26 1.25 1.20 1.07 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:x D:yz P:y P:z P:z D:xy P:x P:x P:z P:y P:y P:x P:x P:z P:x P:z P:z P:z P:z P:z P:z P:x D:xz 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 -6.681 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="28">1.33 1.33 1.33 1.00 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="28">100 33 24 104 30 96 54 6 44 30 24 36 97 54 52 97 38 85 35 53 36 46 100 23 4 100 55 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O Tc O O O W O O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.981</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="26">4.87 2.45 2.20 2.07 2.04 1.99 1.51 1.45 1.36 1.36 1.31 1.30 1.25 1.25 1.23 1.15 1.10 1.09 1.04 1.04 1.03 1.02 1.02 1.01 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:y P:x P:y P:y P:x D:yz D:x2-y2 P:x P:z P:x P:z P:x P:z P:y P:y P:x P:x P:x P:x P:x P:z 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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">74 97 36 100 26 54 24 6 2 33 37 40 100 38 86 56 83 71 85 42 76 89 57 66 40 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W W O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.957</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">273</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">3.49 3.26 2.75 2.52 2.43 2.24 1.91 1.80 1.67 1.50 1.47 1.45 1.39 1.38 1.32 1.29 1.25 1.14 1.08 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:z P:y P:z P:y P:x P:x P:x P:x D:xy P:y D:x2-y2 P:x P:y P:y P:y P:z P:z D:z2 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">74 23 100 56 46 96 97 71 39 85 21 71 13 44 75 83 37 28 86 22 81 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 O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.938</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="18">2.74 2.66 2.56 2.19 2.17 1.96 1.91 1.75 1.59 1.53 1.40 1.31 1.30 1.29 1.28 1.28 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:y P:x P:x P:z P:y P:x P:x P:y P:x P:x P:z P:z P:y P:x P:z P:y D:xy</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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="18">71 37 92 43 28 96 81 39 56 59 57 97 31 76 51 74 40 21</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">-9.924</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="17">5.28 2.75 2.42 2.30 2.01 1.92 1.86 1.85 1.81 1.72 1.65 1.62 1.54 1.43 1.12 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:x P:y P:y P:z P:z P:z P:z P:x P:z P:y P:x P:y D:yz P:y D:yz P:x 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 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">100 49 51 65 36 69 97 44 99 101 43 45 17 68 105 101 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O W O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.917</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="20">4.74 2.97 2.79 2.60 2.11 2.04 1.87 1.78 1.71 1.69 1.63 1.59 1.56 1.43 1.39 1.31 1.29 1.28 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:z P:y P:z D:yz P:z P:y P:z D:xz P:y P:y P:y P:y P:z P:z P:x P:y 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">100 65 74 99 17 69 51 76 10 45 71 68 49 25 36 44 101 65 101 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O W 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">-9.884</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="28">3.81 3.44 3.40 3.18 2.95 2.86 2.28 2.18 1.99 1.97 1.76 1.61 1.59 1.59 1.47 1.40 1.36 1.32 1.30 1.24 1.23 1.17 1.08 1.06 1.06 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:x P:z P:x P:y P:y P:y P:z P:z P:z P:y D:xz P:z P:x P:x P:z D:x2-y2 P:z P:y P:z P:x D:x2-y2 P:x P:x D:yz D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">65 83 89 74 76 95 58 74 66 25 75 59 11 51 69 71 95 9 71 70 79 65 13 56 25 9 8 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O W O O O O W O O O O W O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.859</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">278</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.03 3.97 3.15 2.75 2.67 2.34 2.27 2.21 2.16 2.07 1.93 1.68 1.67 1.63 1.63 1.40 1.33 1.31 1.29 1.28 1.28 1.16 1.16 1.10 1.08 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:z P:y P:x D:xy P:x P:y P:z P:x D:xy P:x P:y P:y P:z P:z P:z P:z P:y D:x2-y2 P:x D:x2-y2 D:xy P:y P:z P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">26 57 31 31 52 22 34 29 28 24 4 35 77 28 32 96 30 29 53 20 53 1 21 24 77 46 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O W O O O O W O O O O O O O O W O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.844</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="23">2.76 1.80 1.79 1.76 1.69 1.27 1.25 1.25 1.22 1.21 1.19 1.19 1.19 1.18 1.18 1.18 1.15 1.13 1.08 1.08 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:x P:z P:z P:y P:z P:x P:z P:y P:z P:x P:z P:y P:y P:y D:xy D:z2 P:z P:y P:x P:x P:x P:x D:yz</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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">91 58 72 80 66 61 74 72 59 92 93 60 61 71 13 8 83 101 46 51 71 39 13</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 O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.840</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="28">4.01 3.39 2.91 2.62 2.48 2.02 1.97 1.96 1.84 1.77 1.77 1.76 1.58 1.51 1.27 1.26 1.22 1.21 1.20 1.18 1.18 1.15 1.15 1.08 1.06 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:y P:y P:y P:z P:y D:yz P:z P:x P:z P:z P:y P:y P:y P:z P:y P:y P:z P:x D:yz P:y D:z2 D:z2 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 -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 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">59 92 71 72 75 89 91 8 94 92 98 71 79 59 61 58 60 94 63 73 15 92 14 9 76 65 62 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O W O O O O O O O O O O O O W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.831</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="24">2.91 2.12 2.03 1.98 1.96 1.95 1.74 1.72 1.70 1.67 1.45 1.42 1.41 1.30 1.30 1.20 1.18 1.17 1.15 1.14 1.13 1.09 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:z D:xz P:x P:z P:y P:y P:x D:x2-y2 P:x P:z P:y P:z P:z D:xy P:x P:y P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 96 77 55 20 46 43 32 49 42 2 37 85 48 50 45 3 36 42 39 85 53 75 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W O O O O O W 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">-9.809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">282</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.12 2.59 2.54 2.34 2.22 2.02 1.98 1.89 1.66 1.47 1.35 1.34 1.31 1.29 1.17 1.15 1.13 1.11 1.10 1.06 1.04 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">P:x P:z P:z P:x P:y P:x P:z P:y P:z D:xz P:x P:z P:z P:x P:y D:z2 D:xz P:z P:z P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">67 40 43 89 95 84 70 40 75 11 32 86 57 95 74 19 10 100 58 83 100 61 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O W O O O O O W W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.755</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="22">5.04 4.76 4.60 3.63 3.38 2.92 2.60 2.45 2.36 2.04 1.91 1.89 1.77 1.65 1.63 1.58 1.48 1.41 1.19 1.15 1.14 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:z P:y P:z P:x D:xz P:z P:x P:z D:z2 P:z D:xy P:x D:xz D:x2-y2 P:x D:xz P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">81 88 66 55 86 96 15 74 81 51 19 55 21 70 20 20 100 14 42 46 32 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W O O O W O W O W W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.720</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">284</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">6.14 5.66 4.71 4.11 4.06 2.94 2.07 1.95 1.91 1.60 1.53 1.37 1.34 1.24 1.19 1.11 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">P:y P:z P:z P:y P:y P:z P:x P:y P:z P:y D:yz P:x P:y P:x P:y P:x 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 -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="18">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="18">48 87 43 87 81 48 28 49 23 55 1 86 79 77 90 45 100 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">O O O O O O O O O O W O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.719</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">3.66 3.22 3.18 3.16 2.52 2.34 2.16 2.04 1.90 1.78 1.71 1.56 1.54 1.54 1.45 1.45 1.30 1.30 1.14 1.12 1.11 1.09 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:x P:z P:y P:x D:xz P:x P:z D:xz D:x2-y2 P:y D:xy P:y P:z P:y P:y P:x D:xz P:z D:x2-y2 P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -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</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 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">88 32 43 66 45 80 15 36 49 4 2 81 16 40 51 55 79 70 3 87 20 74 49 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O W W O W O O O O O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.715</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="24">3.59 3.25 2.64 2.46 2.34 2.31 2.06 1.99 1.95 1.75 1.62 1.56 1.53 1.48 1.43 1.40 1.29 1.24 1.16 1.13 1.10 1.08 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:x P:x P:z P:x D:z2 P:z P:x D:x2-y2 P:z P:y P:x P:x P:x D:xz P:z P:z D:yz P:z P:y P:x D:xz D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -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 -9.089 -9.089 -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 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">95 89 25 66 67 8 25 58 9 100 89 43 28 32 11 80 40 11 57 65 83 4 6 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W O O W O O O O O W O O W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.703</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="21">5.17 4.67 4.07 3.91 2.90 2.30 1.88 1.77 1.67 1.56 1.52 1.50 1.42 1.36 1.32 1.26 1.21 1.15 1.15 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:x P:z P:y P:z P:x P:x P:z P:z P:y P:x P:x D:x2-y2 P:y D:x2-y2 P:z 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 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">90 79 66 90 95 79 56 95 74 66 80 25 28 12 48 14 92 61 88 25 43</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 W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.675</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="26">3.97 3.69 3.36 2.53 2.22 2.05 1.94 1.82 1.77 1.74 1.74 1.73 1.38 1.38 1.30 1.29 1.27 1.17 1.16 1.16 1.14 1.13 1.10 1.06 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:x P:y P:z P:z P:x P:x P:y P:y P:z P:x P:y D:z2 P:z P:x D:z2 P:x P:z P:y P:x P:y P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 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 32 23 49 52 45 23 35 66 55 86 32 21 34 87 22 54 67 89 81 88 45 49 55 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O W O O W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.671</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="25">3.45 2.85 2.81 2.74 2.26 2.18 2.07 2.04 2.01 1.81 1.80 1.71 1.57 1.53 1.52 1.44 1.38 1.32 1.32 1.29 1.29 1.23 1.09 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:y P:z P:y P:x P:x P:x P:y P:x P:y D:z2 P:y P:x P:y P:y D:xy D:xy P:z P:y P:y P:y P:y P:z 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 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">23 81 43 56 56 49 80 87 95 74 18 25 90 89 88 5 16 48 66 40 45 69 87 15 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O O W W O O O O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.670</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">7.95 7.15 5.96 4.11 3.50 3.30 3.26 3.19 2.74 2.38 2.30 2.13 2.12 2.03 1.95 1.94 1.93 1.40 1.38 1.25 1.22 1.12 1.08 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:x P:x P:z P:x P:x D:xy P:z P:x D:x2-y2 P:y D:xz D:xz P:y D:x2-y2 P:y P:z D:xy D:x2-y2 P:z P:y P:y P:x 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 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">55 48 87 32 31 32 1 55 29 20 32 1 18 45 18 87 86 3 3 45 48 86 55 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O O W O W W O W O O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.662</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="23">9.61 8.79 6.40 5.97 3.49 3.19 3.11 2.62 2.18 2.01 1.98 1.95 1.76 1.54 1.52 1.41 1.32 1.25 1.24 1.23 1.22 1.18 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:z P:z D:yz D:z2 P:y D:z2 P:z P:z D:yz P:y P:z P:y P:y P:y D:x2-y2 P:y P:y P:y D:yz D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">67 88 79 90 15 7 80 12 72 89 10 88 60 90 79 72 7 89 69 60 12 12 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W W O W O O W O O O O O W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.662</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">292</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">4.40 4.01 3.32 3.13 2.56 2.50 2.42 2.37 2.32 2.28 2.08 1.84 1.66 1.59 1.55 1.52 1.48 1.47 1.40 1.25 1.12 1.07 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:z P:y P:z D:xz P:y P:z P:y P:y P:y D:xy D:yz P:x D:z2 D:yz D:yz P:y P:x P:y P:x D:xy P:z P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -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="24">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 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="24">95 48 66 56 9 23 43 43 81 49 14 4 25 1 13 22 35 67 25 88 10 88 98 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W O O O O O W W O W 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">-9.651</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="24">5.91 4.67 3.61 2.80 2.52 2.19 2.00 1.69 1.68 1.61 1.59 1.58 1.52 1.51 1.50 1.50 1.43 1.36 1.35 1.34 1.25 1.15 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:z P:x P:x D:z2 P:z P:x P:x P:y P:y P:y P:z P:z D:xz P:y D:yz P:z P:z P:x P:x D:xy D:xy 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 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">87 95 79 90 18 43 81 66 48 56 81 49 25 9 49 5 48 56 55 64 12 7 1 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O W O O O O O O O O W O W O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.649</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">5.43 4.64 3.86 3.73 3.46 2.55 2.53 2.36 2.13 2.08 1.61 1.47 1.35 1.34 1.31 1.22 1.21 1.18 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:x P:y P:y P:y P:x P:z P:y P:y D:xy P:x P:x D:x2-y2 P:y D:x2-y2 D:xy P:z D:xy 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 -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="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 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">90 79 95 67 66 66 25 87 90 12 64 62 9 74 8 14 80 7 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O W O O W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.640</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">295</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">6.06 4.22 3.04 2.94 2.76 2.75 2.31 2.26 2.11 1.89 1.66 1.65 1.53 1.46 1.42 1.28 1.17 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:x P:y P:y P:y P:y P:y P:y D:xy P:y D:yz P:z P:x P:y P:z D:x2-y2 D:x2-y2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="20">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 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">48 87 45 48 23 32 86 90 79 3 43 22 95 55 87 55 1 2 56 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O 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">-9.632</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="17">7.15 4.27 4.20 3.68 2.82 2.53 2.50 2.19 2.04 1.81 1.70 1.52 1.47 1.47 1.34 1.24 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:z P:y P:z P:y P:y P:z P:y P:x D:yz D:yz P:z P:x D:z2 D:x2-y2 P:z D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="17">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">79 67 90 80 89 95 79 88 56 16 11 48 67 10 9 101 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O W W O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.524</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="19">8.27 5.93 5.09 3.01 2.92 2.66 2.44 2.40 2.38 1.86 1.82 1.53 1.32 1.31 1.22 1.21 1.14 1.04 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:x P:z P:x P:y P:z P:y P:y P:y P:y P:z P:x P:x P:z P:y P:y 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 -9.089 -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">23 55 43 45 56 89 80 40 81 55 88 49 100 45 100 95 25 56 28</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">-9.513</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">7.60 7.25 4.73 4.36 3.89 2.93 2.79 2.70 2.70 2.68 2.23 1.82 1.81 1.74 1.45 1.45 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:z P:z P:y P:x P:z P:y P:y P:y P:x P:x P:x P:x P:y P:x P:y 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">88 89 43 56 95 23 95 55 81 56 32 45 66 45 55 49 80</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">-9.510</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="20">9.73 6.03 4.62 3.51 3.35 3.03 2.88 2.65 2.62 2.55 2.35 2.27 1.83 1.57 1.53 1.33 1.27 1.13 1.08 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:y P:x P:y P:x P:y P:z P:z P:y P:z P:x P:z P:x P:z P:z P:z P:x D:xz 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">86 49 80 45 67 32 45 86 32 81 23 66 25 41 89 45 40 25 19 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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.504</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="15">6.59 6.10 6.05 5.88 4.06 3.87 3.81 2.80 2.76 2.64 1.36 1.15 1.12 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">P:x P:y P:y P:x P:y P:x P:x P:y P:z P:x P:z P:z P:x P:y D:x2-y2</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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="15">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">66 49 67 86 80 32 95 81 88 25 25 43 77 95 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.476</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="19">6.52 5.28 3.78 3.70 3.12 2.49 1.81 1.80 1.75 1.74 1.50 1.49 1.42 1.37 1.22 1.21 1.21 1.19 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y P:y P:x P:x P:y P:y D:xy P:x P:x P:x P:z P:z P:z P:y P:x P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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="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 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">25 80 74 80 100 40 85 16 40 66 49 40 74 80 45 67 23 77 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">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">-9.453</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="20">6.09 5.07 3.02 2.51 2.34 2.20 1.99 1.93 1.76 1.72 1.59 1.51 1.43 1.29 1.21 1.20 1.15 1.14 1.09 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:z P:x P:z P:y P:y P:x P:x P:x P:x P:z P:z P:z P:x P:x P:z D:z2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">89 40 100 86 74 40 45 43 51 49 95 61 25 32 46 23 43 105 70 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.425</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="24">4.24 4.19 4.01 3.97 2.64 2.62 2.25 2.19 2.17 2.06 2.00 1.93 1.84 1.69 1.68 1.68 1.36 1.31 1.31 1.22 1.20 1.17 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:y P:z P:z D:yz P:y D:yz P:y P:z P:x P:z P:x P:y P:y P:x P:y P:x P:y D:z2 P:z D:z2 P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">49 23 34 53 48 22 52 5 27 27 94 35 25 38 81 56 62 63 43 1 38 18 87 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O W O W O O O O O O O O O O O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.419</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="31">4.13 4.05 3.78 3.15 3.03 2.26 2.10 2.07 2.06 1.95 1.90 1.88 1.81 1.79 1.79 1.76 1.70 1.60 1.44 1.44 1.38 1.33 1.23 1.19 1.16 1.15 1.14 1.11 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:x P:x P:y P:x P:y P:y P:x P:y P:y P:x P:y P:y P:z P:z D:x2-y2 P:z D:xy P:z P:y P:x D:yz P:x D:yz P:y D:xy P:z P:z D:xy P:y 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 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 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="31">56 94 25 63 62 23 90 66 63 79 64 34 56 62 13 53 8 49 98 25 22 93 13 95 14 95 64 12 27 94 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O W O W O O O W 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">-9.348</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="25">7.04 4.44 3.32 2.85 2.76 2.72 2.66 2.61 2.60 2.37 2.12 2.02 1.84 1.77 1.51 1.48 1.37 1.15 1.10 1.05 1.05 1.05 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:z P:x P:y P:y P:x D:xz P:z P:z D:xz P:y D:yz P:z D:yz D:xy P:x P:y D:xy P:x P:y P:z P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">38 29 29 35 57 30 52 18 77 26 1 28 6 24 19 4 27 31 6 33 87 87 44 26 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O W O O W O W O W W O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.343</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="27">7.53 4.06 3.48 2.84 2.70 2.67 2.63 2.55 2.43 2.35 2.30 2.16 2.14 2.12 1.96 1.87 1.62 1.62 1.54 1.48 1.43 1.42 1.31 1.24 1.16 1.15 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:x P:x P:x D:yz D:xy P:z P:x P:z P:y P:y P:y P:x D:xy P:y P:x P:x P:y P:z P:y P:y P:z P:x P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 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="27">29 24 45 48 30 2 1 24 33 31 29 32 54 54 3 28 34 87 97 45 30 86 55 86 55 33 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O W W 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">-9.335</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">5.87 4.94 4.91 4.63 3.82 3.74 3.46 3.15 3.05 2.73 2.48 2.26 2.07 2.00 1.88 1.68 1.54 1.36 1.35 1.21 1.16 1.12 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:y P:z P:y P:y P:z P:z P:y P:y D:yz P:z P:y D:yz D:z2 P:y D:z2 D:yz P:y P:y D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">60 99 68 69 101 89 60 80 67 79 11 90 88 16 10 29 7 15 72 30 12 88 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W O O W 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">-9.333</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">9.43 4.39 3.07 3.00 2.96 2.77 2.71 2.69 2.47 2.23 1.90 1.89 1.79 1.77 1.63 1.62 1.57 1.24 1.20 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:z D:yz P:x P:y P:x P:z P:y P:z P:y D:xy D:xz P:x P:z D:xz P:z P:y D:xz P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               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 -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="21">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">60 64 17 99 91 68 92 61 59 64 11 12 72 98 7 93 70 16 79 90 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O W O O O O O O O W 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">-9.297</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.13 3.04 2.93 2.78 1.83 1.71 1.67 1.64 1.63 1.54 1.38 1.33 1.25 1.19 1.18 1.18 1.17 1.17 1.14 1.12 1.09 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:x P:x P:x P:x P:z P:x P:z P:x P:z P:y P:x P:x P:y P:y P:z P:y P:x P:x P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">66 95 39 73 80 43 81 81 51 55 56 70 82 79 86 50 41 77 78 41 85 43 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">-9.288</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="31">3.61 2.34 2.25 2.21 2.15 2.05 2.01 1.97 1.88 1.75 1.66 1.56 1.54 1.50 1.46 1.45 1.43 1.32 1.30 1.30 1.29 1.27 1.26 1.22 1.21 1.10 1.10 1.09 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:x P:x P:z P:y P:x P:z P:x P:z P:y P:z P:x P:x P:z D:z2 P:x P:z P:z D:xy D:z2 P:z P:y P:x D:xy P:y P:y 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 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">36 35 34 86 42 46 52 96 53 30 44 54 24 45 33 2 87 37 24 4 20 85 97 30 22 24 33 48 42 54 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O W O O O W W O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.260</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="23">4.03 2.64 2.24 2.05 2.01 1.91 1.84 1.75 1.74 1.66 1.66 1.65 1.60 1.59 1.54 1.50 1.50 1.34 1.25 1.12 1.12 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:z P:z P:y P:z P:x P:z P:x P:z P:z P:x P:x P:y P:z P:x P:z P:y D:xz P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="23">40 23 58 40 74 86 51 61 80 96 23 45 70 70 90 100 100 85 22 86 81 42 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 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">-9.253</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">3.17 2.95 2.69 2.40 2.36 2.20 2.07 2.00 1.97 1.94 1.77 1.60 1.60 1.59 1.52 1.52 1.52 1.34 1.21 1.12 1.11 1.09 1.06 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:z P:x P:x P:y P:x P:x P:x P:x P:y P:x P:z P:x P:z P:z P:z P:y P:z P:z D:xy D:yz P:y D:xy P:x D:xy 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 -4.492 -4.492 -9.089 -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 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">89 68 99 51 101 69 90 56 58 80 63 79 93 83 65 84 71 76 15 14 94 11 67 16 88</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 W W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.226</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">313</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.02 2.92 2.78 2.63 2.34 2.17 2.11 2.09 2.02 1.98 1.96 1.84 1.73 1.70 1.68 1.65 1.39 1.39 1.38 1.34 1.29 1.24 1.23 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 P:y P:y P:z P:z P:y P:x P:y P:x P:z P:y P:y P:z P:z P:z P:y P:x P:y P:y P:x P:y 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">87 87 40 90 75 48 86 90 39 79 85 49 50 89 80 39 40 41 47 45 78 25 48 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">-9.196</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="31">5.52 4.13 3.26 2.98 2.94 2.92 2.92 2.50 2.43 2.31 2.19 2.16 1.94 1.88 1.81 1.80 1.74 1.57 1.50 1.47 1.46 1.42 1.31 1.25 1.25 1.24 1.22 1.16 1.11 1.09 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 P:z P:z P:y P:y P:z P:y P:x P:x P:y P:y P:x P:z P:x P:x P:x P:y P:y P:y P:x P:z P:x P:z P:z P:z P:y P:x P:y P:x 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">39 75 50 48 47 87 90 66 82 79 75 95 25 86 40 78 56 78 49 23 89 45 90 79 43 80 67 87 88 81 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.174</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="29">5.75 5.38 5.13 4.22 4.05 3.72 3.11 2.87 2.10 2.02 1.82 1.81 1.66 1.59 1.56 1.51 1.49 1.45 1.41 1.32 1.31 1.26 1.09 1.08 1.06 1.04 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:x P:x P:z P:z P:y P:x P:x P:y P:y P:z P:x P:x P:z D:xz P:y P:y P:y P:x D:z2 P:z P:y P:z P:x 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 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">32 48 87 45 55 86 24 33 31 29 31 30 54 29 1 30 88 54 55 2 67 89 86 45 80 34 69 90 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O W 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">-9.166</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="28">6.04 4.98 3.67 3.40 3.37 3.36 3.31 3.19 2.95 2.90 2.38 2.09 1.88 1.76 1.61 1.55 1.50 1.34 1.30 1.29 1.27 1.21 1.17 1.13 1.12 1.11 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:y P:z P:z P:y P:z P:y P:z P:y P:z P:y P:y P:y P:z P:z P:x D:yz P:z P:y P:x P:y P:z P:y P:x P:z P:z P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">88 89 67 99 79 80 68 69 101 90 72 90 60 79 72 87 11 60 32 48 67 45 80 67 76 55 84 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O W O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.136</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">317</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.01 4.37 3.65 3.18 2.88 2.66 2.08 1.99 1.96 1.74 1.69 1.60 1.57 1.36 1.31 1.29 1.22 1.21 1.19 1.17 1.16 1.14 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:x P:z P:x P:y P:y P:x P:x P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">23 50 55 39 88 56 86 41 49 80 73 55 46 56 66 75 81 32 81 39 56 45 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">-9.130</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="25">5.05 3.94 3.71 2.61 2.58 2.10 1.88 1.83 1.83 1.77 1.54 1.49 1.46 1.41 1.40 1.31 1.23 1.22 1.22 1.20 1.17 1.16 1.10 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:x P:z P:x P:x P:y P:x P:x P:x P:x P:x P:z P:x P:y P:y P:y P:z P:y P:x P:x P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">32 41 73 88 47 50 49 55 100 42 43 41 48 45 78 41 96 79 90 81 77 82 37 45 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.123</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="22">7.19 3.47 3.29 2.89 2.74 2.65 2.42 2.37 2.30 1.88 1.77 1.68 1.54 1.53 1.47 1.34 1.29 1.26 1.24 1.16 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:y P:z P:y P:x P:z P:y P:x P:x P:x P:z P:y P:x P:z P:x P:y P:z P:y P:x P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">49 43 96 73 88 39 55 47 32 41 42 42 79 86 37 86 78 50 82 47 42 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.117</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="24">6.60 5.82 3.79 3.39 3.23 3.02 2.96 2.53 2.47 2.45 2.32 2.29 1.79 1.73 1.70 1.65 1.61 1.61 1.60 1.33 1.17 1.13 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:x P:z P:y P:y P:z P:x P:x P:y P:z P:z P:z P:y P:y P:z P:z P:x P:x P:z P:z P:y 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">67 25 89 75 56 82 82 95 80 88 58 67 25 73 75 73 68 78 25 23 82 95 78 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.083</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="27">6.22 3.52 3.27 3.12 3.07 3.00 2.81 2.49 2.23 1.96 1.77 1.75 1.74 1.65 1.52 1.48 1.41 1.35 1.35 1.35 1.34 1.33 1.22 1.17 1.16 1.15 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 P:y P:y P:z P:x P:x P:x P:y P:x P:y P:y P:x P:z P:z P:z P:z P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">32 81 36 45 96 48 55 47 47 42 50 46 27 41 43 86 49 50 23 87 23 26 81 55 50 57 46</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">-9.063</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="29">5.96 4.26 3.47 3.09 3.05 3.03 2.80 2.64 2.58 2.47 2.36 2.16 2.13 2.12 2.06 2.02 1.90 1.56 1.54 1.54 1.53 1.49 1.40 1.39 1.29 1.27 1.09 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:x P:y P:y P:x P:x P:y P:z P:x P:z P:y P:x P:y P:x P:y P:y P:y P:z P:x P:x P:y P:z P:y P:z P:x P:x P:y 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 66 67 71 56 51 65 88 95 51 90 25 80 61 56 78 95 89 82 78 88 67 82 25 90 91 75 82 91</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.058</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="17">7.60 6.51 6.06 5.95 5.71 5.66 5.62 5.18 4.47 4.30 3.43 3.24 3.00 2.89 1.77 1.51 1.19</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:z P:y P:y P:z P:y P:z P:y P:z P:z P:y P:y P:y P:z P:z P:z P:y 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">53 34 43 35 52 81 23 87 49 48 38 27 38 27 48 87 44</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">-9.053</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="22">6.62 6.46 5.73 5.40 4.59 4.39 4.23 4.08 3.49 3.36 3.27 3.20 2.83 2.39 2.14 2.07 1.88 1.82 1.60 1.56 1.19 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:x P:y P:x P:x P:x P:x P:z P:y P:z P:y P:y P:z P:x P:x P:y P:z P:x P:y P:y 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">94 79 66 93 98 90 63 95 25 64 64 62 62 56 25 63 56 95 98 95 70 90</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.043</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">325</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="32">5.00 4.37 4.03 3.84 3.61 3.33 2.86 2.75 2.52 2.48 2.32 2.32 2.27 2.23 2.18 2.18 2.14 2.12 2.07 2.01 1.95 1.63 1.58 1.53 1.46 1.37 1.35 1.23 1.22 1.13 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:x P:z P:x P:z P:x P:z P:x P:x P:y P:y P:z P:y P:x P:x P:y P:y P:z P:x P:z P:y P:z P:z P:y P:z P:z P:y P:y P:z P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">46 36 57 43 28 23 42 26 81 49 46 36 86 77 42 45 28 44 96 96 47 97 46 48 42 41 87 45 50 86 41 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.020</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="24">5.82 3.97 3.79 3.57 3.29 3.22 2.73 2.50 2.46 1.91 1.73 1.57 1.42 1.42 1.36 1.36 1.35 1.23 1.20 1.19 1.16 1.13 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:z P:y P:z P:x P:y P:z P:x P:z P:y P:y P:z P:x P: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">80 74 73 56 89 25 79 90 78 95 82 79 56 58 51 75 82 66 100 83 88 25 90 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-9.009</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="19">4.43 2.71 2.57 2.56 2.49 2.24 2.14 1.99 1.95 1.95 1.75 1.68 1.59 1.49 1.47 1.20 1.20 1.20 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:y P:z P:x P:z P:x P:x P:z P:y P:z P:x P:x P:z P:z P:z P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">100 71 86 65 36 46 28 97 56 48 44 92 41 47 89 57 80 87 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.991</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="20">8.41 6.82 4.59 4.49 3.57 3.45 3.19 2.88 2.19 2.12 2.04 1.48 1.36 1.35 1.29 1.22 1.20 1.19 1.12 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:x P:x P:y P:y P:x P:x P:z P:y P:z P:y P:x P:z P:y P:z P:z P:y 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">71 65 92 74 83 76 59 92 65 71 58 51 59 59 58 48 40 100 76 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">-8.897</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">3.61 3.42 2.95 2.75 2.74 2.71 2.58 2.46 2.34 2.19 2.19 2.04 1.97 1.96 1.93 1.91 1.84 1.74 1.63 1.63 1.62 1.55 1.52 1.33 1.29 1.29 1.29 1.28 1.25 1.17 1.16 1.12 1.11 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:x P:y P:z P:z P:y P:z P:x P:x P:z P:y P:x P:y P:x P:x P:x P:z P:z P:y P:y P:x P:z P:z P:y P:z P:y P:y P:z P:z P:x P:z P:x P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">97 26 23 57 49 37 31 37 44 35 29 85 96 36 100 34 52 33 77 32 46 85 53 24 42 24 28 87 30 54 54 86 42 38 30</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">-8.884</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">4.88 4.70 3.43 3.36 2.75 2.49 2.46 2.42 2.41 2.32 2.12 1.95 1.91 1.84 1.82 1.76 1.75 1.75 1.61 1.51 1.42 1.41 1.38 1.34 1.33 1.26 1.26 1.19 1.16 1.16 1.15 1.14 1.10 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:x P:y P:x P:y P:y P:x P:z P:z P:y P:y P:z P:x P:x P:z P:z P:x P:z P:z P:z P:z P:y P:y P:y P:y P:z P:y P:y P:x P:x P:x P:z P:x 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">84 70 76 83 69 99 25 68 101 59 93 91 64 56 60 72 58 88 51 98 61 67 56 92 80 89 63 60 91 62 71 94 61 65 72</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">-8.788</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="29">5.37 5.25 5.08 4.56 3.07 3.06 2.82 2.37 2.24 2.18 2.16 1.86 1.77 1.72 1.69 1.68 1.67 1.67 1.58 1.56 1.56 1.53 1.50 1.34 1.30 1.30 1.20 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:y P:y P:x P:x P:x P:y P:x D:yz P:z P:y P:y P:z P:y P:y D:x2-y2 P:x P:y P:y P:z P:y P:x D:xy P:z P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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 1.00 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">85 37 45 46 100 53 34 41 81 104 26 77 47 31 50 85 6 43 48 87 86 31 37 104 45 39 57 29 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O Tc O O O O O O W O O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">332</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">8.31 7.26 6.05 4.53 4.23 3.35 3.05 2.50 2.34 2.22 2.21 2.09 1.76 1.72 1.72 1.71 1.53 1.45 1.39 1.35 1.26 1.25 1.23 1.11 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:z P:z P:z P:x P:z P:z P:z P:y P:x P:z P:z P:z P:z D:xz P:x P:z P:x P:z P:x P:x P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 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">84 89 70 74 66 91 69 84 82 71 70 61 58 79 90 63 17 80 73 73 70 71 82 78 17 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O W O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">333</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.73 6.20 4.76 4.61 4.54 3.61 3.39 3.06 2.56 2.43 2.36 2.11 1.93 1.84 1.80 1.77 1.49 1.46 1.14 1.09 1.09 1.07 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z D:xy P:z D:xy P:y P:z P:z P:z P:x P:y P:x P:z P:y P:y D:yz P:z P:z P:y D:xz P:z P:x P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               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 -6.681 -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="24">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 1.00 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="24">42 22 96 4 46 54 77 30 52 54 34 85 28 36 104 33 24 24 5 29 85 31 3 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O W O W O O O O O O O O O O Tc O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">334</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">10.51 7.44 4.72 3.77 3.52 3.08 2.78 2.68 2.66 2.40 2.11 2.04 1.91 1.87 1.86 1.70 1.65 1.56 1.56 1.47 1.36 1.32 1.31 1.26 1.16 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:yz P:x P:y P:z P:z P:x D:xz P:y P:y P:y P:y P:x D:xy D:yz P:z P:y D:z2 P:x D:xz P:z P:x P:y P:y P:x D:z2 P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.00 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.00 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">104 27 36 33 31 38 5 33 46 31 28 24 104 6 37 24 20 26 21 54 85 96 97 33 2 35 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">Tc O O O O O W O O O O O Tc W O O W O W O O O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.678</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">6.17 5.52 4.96 3.47 3.33 3.03 3.00 2.97 2.86 2.70 2.23 1.90 1.85 1.75 1.74 1.69 1.64 1.58 1.33 1.28 1.26 1.15 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:x D:z2 P:y P:x D:z2 P:x P:x P:x P:y P:x D:yz P:x D:yz P:z P:z P:z P:x P:z 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">58 101 68 13 70 99 9 71 69 65 92 58 14 51 8 71 93 61 92 94 8 13 89</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O W O O W O O O O O W O W O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.571</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.03 2.93 2.47 2.02 2.02 1.99 1.92 1.84 1.81 1.80 1.75 1.73 1.72 1.72 1.70 1.65 1.51 1.29 1.29 1.28 1.15 1.13 1.12 1.11 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:z P:y P:x P:y P:x P:y P:x P:z P:x P:z P:z P:x P:y 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="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">47 51 50 74 69 78 35 79 96 83 37 100 98 82 84 71 99 54 96 90 61 56 87 36 61 82 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.563</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="27">3.15 2.62 2.32 2.14 1.83 1.76 1.68 1.67 1.60 1.57 1.55 1.42 1.40 1.40 1.36 1.33 1.26 1.24 1.20 1.19 1.15 1.12 1.09 1.08 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:z P:x P:y P:z P:y P:y P:y P:x P:y P:y P:z P:z P:x P:y P:x P:z P:z P:z P:y P:x P:y P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">37 88 85 70 65 100 55 61 74 36 47 78 77 32 35 91 23 30 25 93 100 99 90 96 49 26 83</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">-8.531</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">338</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">7.23 5.36 5.05 4.46 3.62 2.96 2.93 2.85 2.54 2.04 1.89 1.88 1.68 1.64 1.56 1.54 1.44 1.38 1.20 1.19 1.17 1.17 1.11 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 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:x P:z P:y P:x P:z P:z D:xz P:x P:x P:y D:xz D:xy D:z2 P:y D:z2 P:z P:y P:y P:y D:xy P:y P:x D:yz 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 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">36 52 26 57 26 77 96 1 35 34 30 18 18 20 97 2 36 28 46 31 1 96 96 3 77 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W O O O W W W O W O O O O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.511</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="24">8.31 5.82 4.65 4.24 3.34 2.96 2.43 2.02 1.96 1.87 1.82 1.76 1.59 1.55 1.48 1.44 1.40 1.40 1.39 1.36 1.20 1.16 1.10 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:y P:y P:z P:z P:z P:y D:xz D:xy D:xy D:xz D:xz P:z P:x P:y D:xz P:y P:z P:y P:z D:xy P:z P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 -4.492 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">91 51 65 93 59 61 12 15 11 7 16 76 37 93 10 94 92 101 94 7 99 98 69 98</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W W W W W O O O W O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.468</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="25">2.68 2.14 2.00 1.94 1.91 1.87 1.86 1.79 1.72 1.69 1.53 1.48 1.47 1.45 1.43 1.38 1.33 1.27 1.14 1.09 1.09 1.03 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:z P:x P:z P:z P:x P:x P:y P:x P:z P:y P:x P:x P:z P:y P:y P:z P:x P:y P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">37 51 92 89 84 50 68 49 47 82 45 28 100 101 51 58 84 96 59 95 35 74 59 55 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.459</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="28">5.82 3.71 2.99 2.75 2.18 2.14 2.11 2.06 2.03 1.77 1.74 1.63 1.52 1.49 1.46 1.45 1.39 1.38 1.31 1.29 1.26 1.22 1.12 1.08 1.08 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:z P:x P:z P:x P:z P:z P:x P:y P:x P:x P:z P:z P:y P:x P:x P:z P:z P:y P:x P:y P:y P:x P:y P:y P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">73 78 75 64 63 70 78 65 90 75 80 79 59 66 94 25 82 84 79 61 69 58 95 101 69 73 101 105</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 Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.444</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="26">4.61 4.55 4.28 3.97 3.95 2.33 2.29 2.15 2.14 1.99 1.92 1.82 1.62 1.58 1.49 1.46 1.42 1.38 1.36 1.32 1.31 1.27 1.26 1.23 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:x P:x P:x P:z P:z P:x P:y P:y P:z P:y P:z P:x P:x P:x P:y P:y P:y P:x P:y P:y 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">41 41 39 47 50 50 34 87 81 86 48 53 38 48 97 85 38 39 55 100 45 33 37 86 45 43</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">-8.416</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">343</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.89 4.51 2.46 2.37 2.19 2.04 1.95 1.90 1.89 1.77 1.68 1.60 1.40 1.39 1.36 1.34 1.27 1.23 1.13 1.10 1.08 1.05 1.04 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x D:x2-y2 P:z P:x P:x P:x P:z P:y D:yz P:x P:z P:y P:y D:xy P:z P:z P:z P:x P:x D:z2 P:x P:z P:x 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 -6.681 -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</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 1.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">72 105 51 71 58 60 63 65 105 39 71 58 91 105 82 59 62 62 96 105 65 65 101 94 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O Tc O O O O O O Tc O O O O Tc O O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.371</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">3.36 3.25 2.83 2.79 2.72 2.70 2.54 2.42 2.06 2.03 1.99 1.91 1.51 1.45 1.44 1.43 1.39 1.20 1.16 1.06 1.06 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:x P:y P:z D:yz P:y P:y P:x P:z P:x P:y P:z P:x P:x P:x P:z 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 -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="23">1.33 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">74 75 82 58 100 105 78 47 67 50 89 40 32 96 100 72 44 23 81 60 97 95 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O Tc O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">345</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.29 5.74 3.18 3.13 2.19 2.17 1.99 1.90 1.85 1.84 1.69 1.64 1.60 1.54 1.48 1.20 1.15 1.13 1.07 1.04 1.04 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:z P:y P:z D:yz P:x P:z P:x P:x P:z P:x P:z P:z P:x P:x P:x P:x P:z P:x 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 -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="22">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="22">75 78 50 39 71 105 80 40 39 73 90 66 56 46 25 97 68 27 64 37 65 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">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">-8.329</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="25">5.68 4.96 4.11 3.41 3.37 3.29 3.13 2.63 2.63 2.37 2.12 2.08 2.07 1.94 1.90 1.82 1.77 1.59 1.55 1.47 1.42 1.24 1.15 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:z P:x P:y P:z P:z P:z P:x P:z P:y P:y P:z P:x P:z P:y P:z P:y P:x P:x P:x P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">50 47 41 97 41 39 47 23 86 45 39 74 100 49 55 86 43 32 23 32 81 78 57 82 100</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">-8.312</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">6.03 4.55 4.50 4.19 3.98 3.92 2.89 2.77 2.70 2.49 2.36 2.31 2.29 2.22 2.17 1.97 1.83 1.78 1.71 1.63 1.58 1.46 1.39 1.30 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:z P:x P:y P:y P:z P:y P:y P:y P:y P:z P:z P:x P:z P:y P:y P:y P:z P:y P:x P:z P:z P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">75 73 82 73 74 82 80 67 66 78 78 88 76 89 25 76 59 95 93 56 56 76 63 80 79</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">-8.269</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="24">5.79 4.56 3.31 2.97 2.91 2.63 2.32 2.05 2.04 1.86 1.81 1.70 1.61 1.50 1.50 1.43 1.41 1.25 1.24 1.17 1.10 1.04 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:y P:z P:y P:y P:y P:y P:z P:z P:z P:x P:z P:z P:z P:x P:y P:z P:x P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">70 73 85 84 41 24 99 35 68 85 98 97 30 34 72 31 76 75 37 66 81 44 37 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.232</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">349</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.41 4.88 3.44 2.72 2.32 2.13 2.09 2.09 2.01 1.90 1.81 1.81 1.73 1.40 1.38 1.32 1.21 1.16 1.15 1.08 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:x P:y P:y P:y P:z P:z P:y P:z P:z P:x P:y P:z P:z P:x P:y P:x P:z P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">70 73 41 85 35 98 84 99 85 30 62 24 34 41 45 93 96 37 33 31 31 30 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.183</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">350</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.67 5.50 4.93 4.47 3.91 2.90 2.74 2.39 2.06 1.83 1.79 1.79 1.73 1.69 1.68 1.62 1.59 1.57 1.51 1.44 1.41 1.34 1.32 1.28 1.17 1.14 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:x P:x P:x P:z P:x P:y P:z P:x P:y P:z P:z P:y P:y P:z P:x P:y P:z P:z P:z P:x P:y P:y P:z P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">97 77 96 36 29 96 37 53 30 42 42 28 52 97 33 57 30 26 42 100 33 81 35 29 27 77 44 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">-8.175</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">351</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.70 3.63 3.57 3.39 3.39 2.82 2.54 2.44 2.26 2.11 1.95 1.90 1.77 1.51 1.40 1.32 1.31 1.31 1.28 1.22 1.21 1.20 1.19 1.14 1.11 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:y P:z P:z P:x P:x P:z P:x P:z P:z P:y P:y P:z P:x P:z P:y P:y P:y P:x P:x P:z P:z P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">44 29 24 34 46 36 28 28 97 60 57 35 99 101 54 68 69 77 54 96 46 24 85 26 60 31 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">352</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.30 4.99 3.82 3.72 3.38 3.26 2.68 2.28 2.18 2.03 1.94 1.82 1.81 1.64 1.57 1.50 1.45 1.39 1.28 1.19 1.14 1.13 1.10 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:y P:z P:z P:y P:x P:y P:y P:z P:x P:y P:z P:z P:z P:y P:y P:x P:y P:x P:y P:y P:z P:z P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">60 99 101 68 69 29 60 24 51 64 73 34 94 61 94 74 36 72 54 35 54 84 72 24 63 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">-8.144</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">5.45 5.40 5.34 4.75 3.70 3.64 3.59 3.58 3.33 3.20 2.81 2.81 2.08 2.05 1.97 1.91 1.72 1.67 1.54 1.48 1.47 1.25 1.25 1.21 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:y P:z P:z P:y P:y P:z P:x P:x P:z P:z P:z P:x P:x P:x P:z P:z P:y P:y P:x P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">83 92 76 51 68 59 65 61 70 61 84 65 71 76 71 92 91 66 94 58 58 69 65 51 88</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">-8.128</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="26">8.38 5.29 3.72 3.59 3.36 2.99 2.65 2.65 2.29 2.28 1.86 1.63 1.61 1.50 1.45 1.34 1.31 1.25 1.21 1.17 1.16 1.14 1.11 1.04 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:z P:z P:z P:y P:z P:y P:x P:x P:x P:x P:z P:y P:y P:y P:y P:x P:y P:x P:y P:z P:y P:y P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">100 44 41 53 52 44 97 83 100 43 32 45 74 41 100 37 27 44 46 85 36 57 67 36 58 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.114</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">9.53 7.55 2.79 2.65 2.56 2.48 1.83 1.81 1.61 1.54 1.42 1.37 1.33 1.31 1.25 1.19 1.17 1.13 1.11 1.05 1.02 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:y P:x P:y P:x P:y P:x P:z P:y P:x P:y P:y P:z P:z P:x P:z P:z P:x P:z P:x P:z P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">74 83 73 63 93 62 95 63 76 66 60 93 73 97 76 39 99 41 71 59 99 65 100 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.094</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="25">4.06 3.37 3.16 2.96 2.90 2.48 2.18 2.13 1.99 1.89 1.77 1.70 1.68 1.55 1.55 1.37 1.32 1.23 1.20 1.19 1.15 1.10 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:x P:z P:x P:z P:x P:z P:y P:y P:x P:z P:z P:y D:z2 P:y P:x P:x P:z D:xy P:y 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 -6.681 -9.089 -9.089 -9.089 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 1.00 1.33 1.33 1.33 1.33 1.00 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">75 39 88 39 71 55 58 75 73 32 67 46 61 92 105 99 23 76 25 104 76 76 73 55 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O Tc O O O O Tc O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.052</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="28">5.79 5.57 4.25 3.58 3.21 3.00 3.00 2.66 2.34 2.14 2.13 2.05 2.02 1.89 1.80 1.77 1.58 1.49 1.38 1.22 1.21 1.20 1.15 1.09 1.03 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:y P:z P:x P:x P:z P:x P:y P:x P:x P:x P:x P:y P:x P:y P:x P:y P:z P:x P:z P:x P:z P:x P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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 46 42 54 96 36 34 23 33 49 27 42 35 55 31 38 38 86 38 52 32 50 45 34 47 31 52 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 O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-8.004</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="38">5.49 3.47 3.27 3.24 3.19 3.16 3.10 2.57 2.22 2.09 1.99 1.98 1.98 1.97 1.92 1.87 1.75 1.73 1.63 1.62 1.57 1.55 1.47 1.46 1.40 1.37 1.33 1.31 1.31 1.29 1.29 1.25 1.21 1.14 1.12 1.06 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:x P:y P:x P:x P:x P:x P:z P:x P:z P:x P:x P:z P:x P:z P:z P:y P:z P:x P:x P:z P:y P:x P:x P:z P:y P:z P:x P:x P:x P:x P:y P:y P:z P:x P:x P:x 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">58 94 101 72 60 71 63 69 65 75 88 62 78 51 64 64 91 80 82 71 59 90 99 25 63 72 89 64 68 92 62 69 93 56 79 67 51 56</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">-7.983</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">4.01 3.14 3.08 2.89 2.78 2.52 2.40 2.25 2.17 2.14 1.88 1.84 1.57 1.55 1.50 1.47 1.30 1.30 1.23 1.21 1.19 1.18 1.15 1.10 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:y P:y P:x P:y P:x P:x P:z P:y P:x P:y P:y P:z P:y P:y P:z P:z P:y P:x P:x P:z 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">27 31 27 77 81 65 43 62 28 36 36 57 23 51 92 44 66 96 35 65 47 61 24 31 28 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.944</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">4.85 3.00 2.54 2.53 2.31 2.23 2.10 1.86 1.85 1.84 1.75 1.70 1.70 1.62 1.55 1.48 1.40 1.40 1.25 1.25 1.24 1.21 1.08 1.05 1.05 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:y P:z P:z P:z P:z P:x P:z P:z P:z P:y P:z P:z P:y P:y P:z P:z P:z P:y P:x P:z P:x P:x P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">62 92 56 83 59 66 71 27 76 82 94 95 24 57 98 61 46 78 44 72 93 65 70 27 81 25 97</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.905</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="29">3.40 3.09 2.97 2.45 2.37 2.31 2.16 2.16 1.97 1.84 1.82 1.76 1.64 1.61 1.44 1.38 1.35 1.31 1.31 1.29 1.21 1.21 1.21 1.18 1.16 1.16 1.15 1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:y P:z P:x P:x P:x P:y P:y P:y P:x P:y P:y P:z P:y P:z P:y P:y P:y P:z P:y P:y P:y P:x P:x P:y P:y P:x 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">44 74 100 58 43 83 99 78 70 30 47 95 83 89 26 30 51 45 50 40 33 25 45 85 91 42 49 37 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">-7.873</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="23">3.93 3.91 3.31 3.17 2.89 2.89 2.59 2.47 2.39 2.18 1.91 1.79 1.68 1.64 1.37 1.34 1.31 1.27 1.24 1.22 1.16 1.15 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:y P:y P:z P:x P:z P:y P:y P:z P:z P:x P:y P:z P:z P:z P:z P:x P:x P:x P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">83 55 78 51 88 96 95 47 44 82 43 74 100 50 68 34 50 55 96 86 24 70 32</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">-7.837</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">363</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.01 3.64 3.52 3.49 2.85 2.73 2.23 2.04 2.02 1.87 1.65 1.64 1.48 1.41 1.39 1.34 1.29 1.20 1.17 1.16 1.11 1.10 1.10 1.10 1.06 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:x P:y P:z P:z P:y P:z P:x P:y P:y P:y P:z P:z P:z P:x P:y P:x P:y P:z P:x P:x P:y P:z 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 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">36 40 65 40 32 40 51 67 89 70 25 67 65 56 96 91 58 84 46 83 35 99 80 64 98 88 99</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">-7.814</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="35">5.74 4.41 3.52 3.35 3.29 3.28 3.25 2.87 2.67 2.49 2.41 2.40 2.17 2.16 2.11 2.07 1.98 1.96 1.92 1.79 1.77 1.70 1.68 1.67 1.66 1.63 1.59 1.58 1.33 1.26 1.21 1.16 1.13 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:y P:z P:x P:y P:z P:y P:y P:z P:x P:z P:x P:z P:x P:x P:z P:z P:y P:x P:y P:z P:y P:z P:x P:z P:x P:y P:y P:z P:y P:z P:x P:y P:y 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">38 38 81 53 31 31 87 33 54 34 52 43 27 77 87 48 32 24 81 28 41 27 30 48 34 28 43 48 87 35 85 29 41 55 37</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">-7.802</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="33">5.57 3.03 2.79 2.76 2.70 2.70 2.37 2.32 2.31 2.23 2.22 2.19 1.95 1.92 1.90 1.86 1.85 1.79 1.77 1.73 1.69 1.66 1.57 1.57 1.53 1.40 1.34 1.24 1.20 1.16 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:z P:z P:z P:y P:x P:z P:z P:y P:y P:x P:x P:x P:x P:y P:x P:y P:y P:x P:x P:x P:z P:x P:x P:x P:z P:y P:z P:z P:z P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">44 49 34 85 23 32 24 30 55 97 49 42 48 53 87 43 35 37 64 30 52 55 85 43 46 42 81 66 96 36 72 44 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.800</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="26">7.06 4.74 3.87 2.78 2.51 2.33 2.32 1.87 1.85 1.82 1.81 1.69 1.66 1.46 1.38 1.37 1.37 1.32 1.27 1.22 1.21 1.14 1.12 1.10 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:z P:x P:y P:z P:z P:x P:y P:x P:y P:z P:z P:y P:x P:x P:x P:z P:x P:z P:x P:x P:y P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">64 72 66 62 69 94 90 73 95 90 79 101 92 90 88 95 79 61 67 44 70 63 63 61 68 79</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">-7.775</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="30">4.61 4.61 4.04 4.01 3.87 3.49 3.44 3.21 2.99 2.75 2.64 2.54 2.52 2.18 2.14 2.03 1.89 1.78 1.78 1.73 1.60 1.45 1.43 1.35 1.19 1.18 1.17 1.11 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:z P:y P:x P:y P:z P:z P:y P:y P:z P:z P:z P:y P:x P:x P:x P:x P:z P:x P:x P:z P:z P:x P:x P:y P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">95 83 68 99 70 88 25 94 58 63 71 67 84 76 58 95 25 63 83 99 88 51 66 56 65 56 65 98 79 76</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">-7.761</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="29">5.13 4.67 3.90 3.85 3.65 3.56 3.53 3.29 3.09 2.59 2.57 2.52 2.43 2.38 2.37 2.25 2.01 1.90 1.74 1.60 1.58 1.41 1.39 1.34 1.29 1.21 1.16 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:y P:z P:y P:x P:z P:y P:z P:y P:z P:z P:z P:z P:x P:y P:x P:y P:y P:z P:x P:y P:y P:y P:x P:x P:z 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">52 87 35 48 26 45 86 48 87 45 49 57 44 33 54 23 85 33 54 37 86 97 85 44 35 48 81 36 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">-7.753</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">5.10 4.62 4.15 3.81 3.29 3.20 3.20 3.16 3.14 3.07 2.88 2.82 2.82 2.77 2.72 2.59 2.48 2.35 2.05 1.96 1.92 1.79 1.60 1.32 1.22 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">P:x P:x P:z P:y P:y P:z P:z P:z P:y P:y P:y P:x P:y P:x P:y P:z P:z P:z P:x 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="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 79 101 69 98 93 83 80 79 59 70 89 93 98 89 90 91 25 56 79 90 56 51 80 93 25 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.715</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="26">8.19 5.81 4.35 4.22 3.83 3.53 2.94 2.91 2.88 2.88 2.80 2.69 2.47 2.31 2.12 1.86 1.61 1.59 1.45 1.40 1.40 1.30 1.23 1.07 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:z P:z P:z P:y P:z P:y P:z P:z P:y P:y P:x P:z P:y P:x P:x P:y P:y P:x P:x P:x 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">31 38 23 29 46 49 29 32 23 77 30 32 28 55 24 55 53 34 24 42 49 57 26 46 35 52</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">-7.706</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="28">10.80 6.13 4.36 3.77 3.13 2.38 2.22 2.07 1.99 1.98 1.94 1.85 1.71 1.64 1.62 1.60 1.59 1.55 1.50 1.45 1.38 1.31 1.25 1.24 1.17 1.08 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:y P:z P:z P:y P:z P:y P:x P:x P:y P:x P:y P:y P:z P:x P:y P:x P:z P:x P:x P:x P:x P:z P:x P:y P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">27 43 81 38 38 86 27 29 81 53 45 23 77 49 37 29 96 34 52 97 42 86 57 35 26 46 48 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.689</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="25">5.44 5.19 5.14 4.57 4.06 4.00 3.26 3.03 3.00 2.91 2.66 2.53 2.42 2.23 2.00 1.68 1.68 1.67 1.50 1.46 1.39 1.34 1.27 1.17 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:x P:x P:x P:y P:y P:x P:x P:y P:z P:y P:x P:x P:z P:x P:y P:y P:z P:x P:z P:z 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">72 67 60 56 71 88 72 68 58 56 64 93 88 99 25 25 64 61 71 92 98 51 61 40 59</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">-7.674</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">373</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.33 9.13 8.17 4.78 3.60 2.51 2.18 2.04 1.83 1.74 1.72 1.61 1.35 1.32 1.30 1.23 1.23 1.19 1.13 1.13 1.11 1.08 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:z P:z P:y P:x P:y P:z P:x P:x P:z P:y P:x P:x P:x P:y P:y P:z P:y P:x P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">64 66 95 62 62 88 84 80 83 95 51 89 89 90 60 60 25 61 95 79 63 60 91 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 O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.663</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">374</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">5.57 4.69 4.44 4.35 4.16 3.95 3.41 3.09 2.65 2.45 2.23 2.10 2.03 1.95 1.80 1.71 1.58 1.55 1.40 1.36 1.31 1.26 1.25 1.18 1.13 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:z P:x P:y P:x P:y P:z P:x P:y P:x P:x P:z P:z P:z P:z P:x P:y P:y P:z P:z P:z P:y 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">67 51 32 36 65 88 40 40 96 66 64 65 67 65 55 81 58 55 53 72 82 98 97 67 95 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.651</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="32">7.53 7.10 4.17 3.34 2.92 2.71 2.65 2.54 2.46 2.46 2.42 2.07 1.93 1.77 1.69 1.63 1.59 1.53 1.52 1.45 1.41 1.35 1.35 1.33 1.30 1.24 1.18 1.13 1.12 1.10 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:z P:y P:z P:z P:y P:z P:z P:y P:y P:z P:x P:x P:x P:z P:y P:z P:y P:y P:z P:y P:z P:z P:z P:z P:y P:y P:x P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">97 37 46 77 85 28 28 42 57 44 26 53 42 88 51 77 55 42 40 81 65 24 57 96 46 35 53 67 52 37 34 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">-7.646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">376</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.00 5.42 4.10 4.00 3.60 3.23 2.97 2.75 2.43 2.19 2.13 1.88 1.78 1.78 1.60 1.54 1.38 1.37 1.30 1.30 1.29 1.21 1.14 1.10 1.07 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:x P:z P:x P:z P:x P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:z P:y P:z P:z P:z P:x P:y P:y P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">32 55 53 24 29 81 31 30 34 30 43 24 68 99 87 48 96 68 23 60 38 80 55 38 88 67 31 27</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">-7.631</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="26">9.62 7.42 5.85 4.24 3.79 3.78 3.71 3.56 3.50 3.40 2.18 2.07 1.96 1.87 1.69 1.60 1.47 1.35 1.35 1.31 1.26 1.21 1.17 1.14 1.09 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:y P:z P:y P:y P:y P:z P:y P:y P:y P:x P:y P:y P:z P:z P:x P:z P:z P:x P:x P:y P:z P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">84 58 61 76 63 92 76 71 91 70 93 76 66 59 92 59 63 61 66 83 99 64 83 51 99 98</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">-7.621</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="30">3.75 3.43 3.01 2.74 2.58 2.42 2.28 2.24 2.00 1.99 1.99 1.98 1.77 1.77 1.61 1.58 1.57 1.44 1.43 1.43 1.40 1.39 1.38 1.34 1.29 1.27 1.14 1.12 1.12 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:x P:z P:z P:x P:y P:x P:y P:y P:x P:x P:z P:y P:z P:z P:y P:x P:z P:x P:y P:z P:z P:z P:x P:y P:y P:z P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">88 81 68 60 53 43 62 28 77 34 27 67 25 81 94 38 67 56 87 99 38 80 90 99 89 60 77 77 68 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.608</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">5.00 4.83 3.74 2.79 2.73 2.73 2.72 2.68 2.59 2.56 2.52 2.50 2.15 1.78 1.78 1.35 1.30 1.30 1.20 1.14 1.14 1.14 1.11 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:x P:z P:x P:x P:y P:y P:z P:z P:x P:y P:x P:z P:x P:y P:z P:z P:x P:z P:y P:z P:y 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">29 31 49 38 39 47 38 27 86 41 81 23 27 27 23 26 72 34 62 60 30 56 25 47 85 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 O O 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">380</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.63 6.21 5.38 3.20 3.06 2.63 2.52 2.26 1.79 1.76 1.67 1.62 1.56 1.36 1.32 1.26 1.24 1.18 1.16 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:z P:x P:y P:y P:y P:y P:x P:y P:z P:y P:z P:z P:x P:x P:z P:y P:z 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">55 31 32 66 88 31 81 77 98 28 68 62 50 64 77 63 92 94 90 65 77 72</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">-7.588</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="34">4.76 4.24 2.58 2.37 2.21 2.07 1.97 1.92 1.81 1.76 1.55 1.54 1.52 1.51 1.46 1.41 1.32 1.31 1.29 1.26 1.24 1.24 1.22 1.20 1.17 1.15 1.12 1.09 1.06 1.05 1.03 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:y P:y P:x P:x P:x P:z P:y P:x P:y P:z P:x P:z P:z P:x P:y P:z P:z P:x P:x P:y P:x P:y P:z P:y P:z P:y P:x P:x P:x P:z P:y P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">32 66 31 50 90 84 94 82 53 67 61 61 56 79 70 66 98 36 83 63 70 69 55 99 62 31 88 87 81 87 62 44 78 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.587</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">3.65 3.53 3.42 3.13 3.00 2.71 2.71 2.51 2.48 2.27 2.27 2.20 2.08 1.90 1.84 1.64 1.62 1.44 1.42 1.41 1.38 1.37 1.36 1.35 1.33 1.30 1.12 1.10 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z P:x P:x P:z P:x P:x P:y P:z P:x P:y P:z P:x P:z P:z P:y P:x P:y P:z P:y P:x P:z P:y P:y P:z P:x P:y 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">43 34 47 97 44 48 43 53 50 87 24 48 50 24 55 45 55 66 30 39 37 46 85 35 86 88 41 39 49</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">-7.578</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="25">5.70 5.70 4.66 4.55 3.83 3.74 3.23 2.63 2.59 2.58 2.41 2.20 2.06 1.83 1.80 1.80 1.75 1.66 1.55 1.42 1.40 1.40 1.39 1.23 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:y P:x P:z P:x P:y P:z P:z P:y P:z P:z P:z P:x P:y P:z P:x P:x P:x P:x P:z P:z P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">95 88 79 72 67 72 94 76 75 83 82 101 58 99 92 92 88 82 80 71 79 94 78 25 59</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">-7.573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">384</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.77 4.75 3.86 3.56 3.15 3.07 2.97 2.93 2.76 2.72 2.70 2.59 1.91 1.90 1.81 1.79 1.77 1.77 1.70 1.64 1.52 1.50 1.30 1.24 1.21 1.20 1.17 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:y P:z P:z P:z P:y P:x P:x P:z P:x P:z P:z P:z P:z P:y P:x P:x P:z P:z P:x P:z P:x P:x P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">72 25 75 63 67 72 78 90 56 73 62 95 83 91 62 89 71 71 78 62 76 67 64 60 88 93 31 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">-7.548</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="25">9.17 7.46 7.43 6.71 4.93 4.23 3.73 3.59 3.13 2.85 2.70 2.67 1.97 1.94 1.89 1.86 1.64 1.42 1.39 1.37 1.30 1.20 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:z P:z P:z P:x P:z P:y P:y P:z P:z P:y P:z P:z P:x P:y P:x P:y P:x P:x P: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">35 23 52 49 48 87 33 48 77 34 87 86 50 24 54 54 81 87 49 48 45 29 81 53 27</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">-7.542</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="28">7.66 7.24 7.03 6.09 3.78 3.45 3.45 2.77 2.74 2.54 2.53 2.53 2.45 2.22 2.13 2.00 1.93 1.85 1.79 1.78 1.69 1.60 1.37 1.34 1.34 1.34 1.29 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:y P:y P:z P:x P:x P:y P:z P:y P:z P:z P:y P:x P:x P:y P:x P:z P:x P:x P:z P:x P:z P:y P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">90 79 25 93 56 98 56 69 80 56 98 93 98 69 61 89 60 66 62 101 90 93 61 94 78 88 101 99</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">-7.539</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">6.88 5.65 4.87 4.70 4.01 3.98 3.86 3.55 3.28 3.21 2.94 2.70 2.68 2.54 2.53 2.46 2.45 2.14 1.98 1.81 1.72 1.56 1.46 1.34 1.27 1.19 1.17 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:z P:x P:z P:y P:z P:z P:y P:y P:x P:y P:y P:x P:y P:y P:x P:y P:y P:z P:x P:x P:x P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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 52 28 43 50 32 87 39 54 39 28 28 77 30 24 23 54 86 30 46 81 23 49 48 30 55 87 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.531</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="21">9.34 8.79 8.71 5.82 5.61 5.04 4.38 4.29 3.38 2.99 2.63 2.19 1.92 1.72 1.36 1.34 1.34 1.16 1.11 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:x P:x P:z P:y P:x P:z P:y P:y P:z P:x P:y P:x P:z P:z P:z P:z P:x P:y P: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">45 33 48 87 33 86 54 54 26 35 49 43 54 33 41 57 52 28 45 41 81</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">-7.528</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">389</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">13.90 12.59 6.09 3.38 3.16 3.10 3.01 2.84 2.72 2.41 2.40 2.33 2.15 2.02 1.90 1.69 1.63 1.50 1.40 1.27 1.24 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:z P:y P:y P:y P:x P:x P:z P:x P:y P:y P:z P:x P:z P:z P:y P:x P:z P:x P:x P:x P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">101 69 89 75 79 80 80 89 101 93 90 90 75 79 73 98 98 82 83 71 98 91 73 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.520</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="31">5.24 5.12 5.12 4.90 4.85 4.70 4.30 3.44 3.05 2.87 2.74 2.35 2.23 2.23 2.11 2.06 2.00 1.90 1.89 1.80 1.68 1.65 1.62 1.58 1.53 1.50 1.43 1.37 1.33 1.26 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:x P:y P:z P:x P:x P:z P:z P:x P:z P:y P:z P:y P:x P:z P:z P:y P:z P:x P:y P:z P:x P:y P:z P:x P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">99 95 67 92 79 82 92 25 61 71 68 78 56 75 58 101 92 89 82 78 79 66 61 59 91 88 56 90 75 89 65</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">-7.506</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.10 5.67 5.50 5.13 4.35 4.15 3.54 3.12 2.95 2.62 2.43 2.20 1.85 1.82 1.79 1.78 1.56 1.46 1.22 1.18 1.16 1.15 1.11 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:x P:x P:z P:z P:x P:z P:y P:x P:x P:y P:z P:y P:y P:z P:z P:z P:y P:z P:x P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">86 33 87 48 45 54 45 81 43 54 29 87 38 24 53 28 32 33 38 86 55 45 34 43 54</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">-7.498</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="24">8.40 7.96 7.50 5.27 4.42 3.47 3.11 2.96 2.79 2.51 2.20 2.19 2.19 2.07 1.82 1.80 1.63 1.55 1.33 1.30 1.25 1.19 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:y P:z P:z P:z P:y P:y P:y P:x P:y P:z P:y P:z P:y P:x P:z P:z P:z P:y P:x P:y 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">89 69 80 101 90 92 90 95 64 79 60 66 79 94 95 63 76 68 88 67 60 67 66 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.473</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="17">20.65 9.57 8.70 8.65 8.05 4.31 3.90 3.41 2.58 2.39 2.27 1.66 1.57 1.54 1.50 1.39 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:x P:y P:z P:y P:x P:y P:x P:y P:z P:y P:x P:x P:z P:x P:y 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">26 49 41 45 35 26 47 50 45 48 77 29 97 38 45 38 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.468</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">16.14 11.55 8.88 5.64 5.33 4.43 3.39 3.09 3.07 2.67 2.40 2.23 1.97 1.91 1.90 1.88 1.45 1.18 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">P:z P:x P:x P:y P:x P:z P:y P:x P:x P:z P:z P:x P:y P:z P:z P:x P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">91 89 91 25 73 25 98 64 98 73 98 79 78 95 82 82 61 78 61 66</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">-7.458</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="14">18.03 10.12 9.45 7.38 6.75 6.22 5.89 3.06 2.41 2.39 2.10 1.67 1.46 1.27</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">P:z P:x P:x P:z P:z P:y P:z P:z P:x P:x P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">57 57 23 41 52 86 86 50 47 86 28 87 38 57</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">-7.450</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="17">21.59 14.48 8.87 6.38 4.18 3.55 2.74 2.63 2.39 2.36 2.33 2.27 2.18 1.81 1.44 1.24 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">P:y P:x P:z P:x P:y P:y P:x P:z P:z P:y P:y P:x P:y P:x P:z 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">59 80 56 59 73 93 73 82 93 78 56 64 92 90 59 66 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">-7.325</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">6.34 6.19 5.41 4.75 4.62 3.47 3.44 3.38 3.37 3.04 2.92 2.79 2.32 2.22 2.12 2.01 1.68 1.62 1.45 1.30 1.18 1.14 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:x P:y P:z P:x P:y P:z P:x P:z P:z P:z P:x P:y P:y P:x P:z P:y P:x P:x P:x P:z P:z 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">35 24 42 52 33 96 53 30 85 54 37 46 36 96 33 53 34 101 97 34 63 44 98 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">-7.287</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="34">5.49 5.25 3.82 3.76 3.66 3.31 2.97 2.93 2.88 2.73 2.72 2.36 2.22 1.96 1.89 1.77 1.73 1.71 1.71 1.62 1.61 1.52 1.44 1.38 1.36 1.30 1.26 1.26 1.22 1.17 1.14 1.10 1.10 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:z P:x P:y P:x P:x P:z P:x P:x P:z P:x P:z P:y P:z P:z P:z P:y P:x P:x P:x P:z P:y P:x P:x P:y P:z P:y P:y P:y P:x P:x P:y P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">85 34 44 101 53 42 68 35 63 52 98 51 37 54 97 46 30 37 24 96 97 33 96 37 30 84 58 36 54 69 33 36 71 93</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.281</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="21">6.35 5.91 5.35 5.25 5.23 4.81 4.69 4.55 4.37 3.01 2.97 2.87 2.49 2.32 2.08 1.93 1.83 1.33 1.24 1.10 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x P:y P:x P:z P:y P:y P:z P:z P:z P:y P:y P:y P:y P:y P:x P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">101 52 68 44 34 63 51 46 98 30 54 84 36 97 58 70 58 97 71 93 85</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">-7.262</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="24">8.64 7.45 6.13 5.69 5.65 5.31 4.83 4.49 3.89 3.10 2.83 2.01 1.99 1.74 1.64 1.52 1.28 1.26 1.19 1.18 1.16 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:z P:y P:x P:y P:x P:x P:y P:z P:z P:y P:x P:x P:y P:y P:z P:y P:z P:y P:z P:z 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">30 24 42 36 52 46 35 96 44 85 96 97 36 37 35 53 54 33 34 87 32 36 97 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">-7.259</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="28">7.65 6.65 6.09 5.96 4.65 4.49 3.97 3.44 3.29 3.14 2.76 2.64 2.33 2.29 2.27 2.21 2.04 2.03 1.91 1.65 1.53 1.50 1.41 1.39 1.38 1.26 1.22 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:x P:y P:z P:z P:z P:z P:y P:y P:y P:y P:x P:x P:z P:z P:x P:y P:y P:y P:x P:z P:x P:z P:z P:y P:z 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">69 99 94 65 76 94 93 93 84 70 83 71 93 83 71 83 71 51 58 94 63 63 99 92 76 69 65 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">-7.234</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="29">8.14 7.81 6.96 5.20 4.67 4.24 3.98 3.68 3.53 3.40 2.72 2.62 2.38 2.16 2.09 2.03 1.91 1.90 1.90 1.85 1.74 1.63 1.36 1.29 1.24 1.15 1.13 1.12 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:x P:y P:z P:y P:y P:y P:x P:x P:y P:x P:z P:z P:x P:x P:x P:x P:y P:x P:z P:y P:z P:x P:x P:x 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">31 29 31 29 28 31 77 97 53 27 36 29 37 96 85 35 26 77 44 34 54 46 57 44 42 38 24 30 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">-7.222</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">403</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">6.75 6.66 6.36 6.33 5.51 4.70 3.76 3.66 2.99 2.96 2.93 2.92 2.85 2.80 2.60 2.48 2.37 2.27 1.61 1.48 1.43 1.40 1.36 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:x P:y P:z P:x P:x P:y P:x P:z P:z P:y P:y P:y P:y P:y P:z P:z P:x P:x P:y 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 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">65 68 51 98 99 71 93 58 63 76 99 70 94 58 84 93 83 83 69 98 101 69 71 70</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">-7.199</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="23">15.13 9.23 8.65 5.65 5.27 5.25 4.10 3.34 2.78 2.55 2.16 1.99 1.70 1.52 1.34 1.29 1.26 1.25 1.16 1.15 1.13 1.11 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:x P:z P:z P:y P:x P:y P:y P:z P:z P:y P:z P:x P:z P:z P:y P:x P:y P:x P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">38 26 27 27 77 57 29 77 26 33 28 28 57 28 49 38 27 85 33 44 23 44 86</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.195</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="20">18.54 15.23 6.00 4.51 3.08 2.69 2.48 2.38 2.38 2.02 2.02 1.96 1.91 1.90 1.78 1.73 1.28 1.17 1.13 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:x P:y P:y P:z P:z P:z P:x P:y P:x P:y P:y P:z P:x P:y P:z P:z P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">72 60 91 61 65 59 76 65 70 76 92 58 92 61 51 72 83 71 51 66</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">-7.162</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="22">11.31 9.14 7.71 6.29 5.37 4.93 3.92 3.90 3.70 3.49 3.39 3.14 2.86 2.37 1.83 1.52 1.47 1.45 1.26 1.20 1.18 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:x P:z P:y P:y P:z P:z P:x P:y P:y P:z P:z P:x P:y P:y P:x P:y P:y P:z 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">64 62 62 91 61 83 61 101 64 92 91 71 64 59 84 84 62 60 76 70 51 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-7.149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">12.44 11.74 5.96 5.47 5.40 5.17 4.99 4.43 4.33 3.48 2.37 1.92 1.88 1.87 1.60 1.57 1.52 1.46 1.44 1.30 1.25 1.21 1.21 1.18 1.14 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:y P:y P:x P:z P:x P:y P:z P:z P:z P:y P:y P:x P:x P:y P:z P:z P:z P:y P:y P:z P:y P:y P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">57 28 53 77 34 54 26 54 33 33 53 77 26 30 29 24 28 34 97 37 52 46 44 29 35 27 38</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">-7.133</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="29">9.64 9.60 7.32 4.96 4.56 4.20 3.85 3.73 3.44 3.43 3.23 2.71 2.66 2.58 2.33 2.26 1.89 1.84 1.59 1.52 1.46 1.43 1.42 1.37 1.35 1.18 1.16 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:z P:x P:y P:y P:x P:z P:y P:z P:y P:x P:y P:y P:y P:y P:x P:z P:z P:z P:x P:y P:y P:y P:x P:x P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="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">59 92 69 61 91 101 63 92 94 70 59 59 58 63 64 92 60 83 76 99 84 62 94 76 62 98 51 65 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.938</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">12.12 10.09 8.77 7.56 6.08 4.84 4.82 4.29 3.86 3.51 3.42 3.17 2.65 2.63 2.19 2.10 2.06 1.82 1.43 1.39 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:z P:x P:z P:x P:z P:x P:x P:y P:x P:z P:x P:y P:z P:y P:y P:x 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 34 54 52 35 33 97 30 53 24 42 53 46 85 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">-6.922</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="23">12.08 11.52 7.07 6.57 5.78 5.06 4.84 4.82 4.27 4.06 3.51 3.13 2.81 2.51 2.42 2.11 2.11 1.91 1.76 1.24 1.22 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:y P:z P:x P:x P:z P:y P:x P:x P:x P:z P:z P:y P:z P:x P:y P:y P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -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">84 76 70 83 101 69 63 94 83 68 99 98 93 51 65 71 93 58 70 98 58 94 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-6.915</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="30">9.51 6.99 6.83 5.65 5.47 4.85 4.49 3.70 3.16 2.88 2.52 2.20 2.18 2.05 1.98 1.92 1.92 1.82 1.70 1.67 1.63 1.61 1.60 1.43 1.29 1.25 1.22 1.20 1.15 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:y P:y P:z P:z P:x P:z P:x P:y P:z P:z P:y P:x P:y P:z P:x P:y P:x P:x P:x P:z P:z P:y P:z P:y P:x P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">38 57 28 77 26 29 29 27 77 28 31 44 35 97 30 26 29 52 31 34 85 27 24 57 26 37 54 31 42 37</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">-6.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">412</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">7.82 7.80 6.42 6.38 5.48 4.59 4.54 4.38 4.36 2.85 2.36 2.30 2.21 2.02 1.89 1.88 1.87 1.85 1.69 1.67 1.66 1.63 1.53 1.50 1.45 1.39 1.31 1.28 1.14 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:y P:x P:z P:x P:y P:z P:z P:z P:z P:z P:y P:x P:y P:x P:x P:y P:x P:z P:z P:y P:x P:z P:y P:y P:z P:y 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">91 60 61 72 59 62 92 92 64 62 61 76 64 68 59 69 99 70 64 60 63 51 101 98 84 58 65 94 83 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.671</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="19">37.03 5.27 4.82 3.92 3.88 3.67 3.66 2.83 2.36 2.30 1.78 1.74 1.61 1.51 1.45 1.39 1.12 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">D:xy P:x P:y D:xz D:xy D:z2 P:y D:x2-y2 D:z2 P:x P:x D:xz D:x2-y2 P:y D:yz P:x P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -6.681 -6.681 -9.089 -9.089 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.33 1.33 1.00 1.00 1.00 1.33 1.00 1.00 1.33 1.33 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">104 96 42 104 105 104 40 104 105 42 49 105 105 96 105 71 65 46 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc O O Tc Tc Tc O Tc Tc O O Tc Tc O Tc O O O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.643</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">1.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">18.87 10.82 10.44 6.22 5.43 4.65 4.28 3.72 2.20 2.13 1.95 1.88 1.62 1.44 1.40 1.19 1.19 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:xz D:x2-y2 P:x P:z D:z2 D:yz D:xy P:x D:x2-y2 P:z P:z P:y P:x P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.00 1.00 1.33 1.33 1.00 1.00 1.00 1.33 1.00 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">104 104 104 36 46 105 104 104 27 105 42 40 46 58 23 32 51 42 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc Tc O O Tc Tc Tc O Tc O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.589</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="17">42.14 5.14 4.62 3.60 3.48 2.98 2.80 2.05 1.91 1.84 1.46 1.33 1.31 1.25 1.19 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:yz P:y P:z P:y P:z P:x D:z2 D:x2-y2 D:x2-y2 P:z P:z P:y D:z2 D:xy D:yz D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -9.089 -9.089 -9.089 -9.089 -9.089 -6.681 -6.681 -6.681 -9.089 -9.089 -9.089 -6.681 -4.492 3.841 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.33 1.33 1.33 1.33 1.33 1.00 1.00 1.00 1.33 1.33 1.33 1.00 0.80 0.00 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">104 46 42 36 96 27 104 105 104 31 46 31 105 22 104 105 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc O O O O O Tc Tc Tc O O O Tc W Tc Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.620</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="20">25.26 9.75 6.93 4.25 3.71 3.33 3.13 3.03 3.02 2.66 2.07 1.90 1.73 1.69 1.46 1.32 1.25 1.16 1.12 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:xy D:x2-y2 D:xy P:x D:xz D:xz D:xz D:z2 P:z P:y D:xz D:xy P:z D:x2-y2 P:x D:yz D:xy P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -4.492 -9.089 -6.681 -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 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.00 1.00 1.00 0.80 1.33 1.00 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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">105 105 105 15 72 105 12 10 13 62 58 7 7 71 8 62 8 13 62 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Tc Tc Tc W O Tc W W W O O W 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">-4.213</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">417</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.60 6.35 5.16 4.90 4.23 3.44 3.23 3.20 2.32 2.25 2.17 2.10 2.00 1.96 1.91 1.88 1.72 1.68 1.60 1.57 1.57 1.43 1.28 1.21 1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xy D:z2 D:z2 D:xz D:yz D:z2 D:xz D:z2 D:x2-y2 D:xy P:x D:xy D:z2 P:y P:y P:x D:yz P:z P:z D:z2 D:x2-y2 D:yz D:xz D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -9.089 -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="26">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 1.00 1.33 1.33 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="26">22 4 2 20 5 3 3 21 5 19 20 34 2 105 46 36 53 19 96 42 19 21 20 19 4 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W O W Tc O O 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">-4.190</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="25">7.13 6.83 5.31 5.08 4.09 3.76 3.19 3.00 2.54 2.21 2.15 1.99 1.93 1.78 1.68 1.43 1.43 1.39 1.38 1.35 1.30 1.20 1.15 1.14 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy D:z2 D:xz D:z2 D:xz D:yz D:z2 D:z2 D:x2-y2 D:yz P:y D:xy D:xz P:y P:z P:x P:x D:xy D:z2 D:x2-y2 P:z D:x2-y2 D:yz 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 -6.681 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">11 15 9 16 13 10 14 105 14 8 8 58 13 8 51 63 101 69 9 16 10 65 14 10 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W Tc W W W O W W O O 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">-4.177</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="13">17.10 14.87 12.91 6.92 5.03 3.39 3.26 2.80 1.84 1.28 1.19 1.08 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:yz D:x2-y2 D:z2 D:x2-y2 P:z P:y D:z2 P:x D:xz P:y P:x D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -9.089 -9.089 -6.681 -9.089 -4.492 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.00 1.00 1.00 1.33 1.33 1.00 1.33 0.80 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">105 105 105 104 40 40 104 40 15 65 88 105 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc Tc Tc Tc O O Tc O W O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.127</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="17">18.07 16.26 9.58 5.68 4.78 4.26 3.36 1.90 1.78 1.77 1.75 1.47 1.18 1.15 1.04 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">D:xy D:z2 P:y D:xz P:z D:yz D:xy D:x2-y2 D:xz D:z2 D:xz D:xy P:x D:z2 P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -6.681 -9.089 -6.681 -9.089 -6.681 -6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.33 1.00 1.33 1.00 1.00 1.00 1.00 1.00 0.80 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">105 105 40 105 40 105 104 105 104 104 15 10 67 9 71 58 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc O Tc O Tc Tc Tc Tc Tc W W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.035</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="26">7.20 6.96 6.11 4.17 4.13 4.08 3.38 3.06 2.16 2.13 2.08 2.02 1.82 1.80 1.77 1.73 1.70 1.59 1.39 1.34 1.30 1.27 1.23 1.17 1.14 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:yz D:xy D:xz D:xy D:xy P:x D:xy D:yz P:z P:x D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:z2 P:x D:xz P:y D:x2-y2 P:y P:y P:z P:z 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 -9.089 -4.492 -6.681 -9.089 -9.089 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089</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 1.00 1.33 1.33 1.00 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 6 6 18 18 4 38 1 104 29 52 105 19 18 6 2 35 21 28 19 57 29 30 37 85 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W Tc O O Tc W W W W O W O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.962</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="26">15.79 4.58 4.32 3.73 3.63 3.39 3.34 3.30 3.27 3.05 3.04 2.68 2.22 2.21 2.07 1.86 1.71 1.62 1.38 1.35 1.26 1.26 1.11 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:yz P:x D:z2 D:xz D:xz D:xy D:xz D:x2-y2 D:xy D:xy P:y P:z P:x P:y D:yz D:z2 D:xy P:y D:yz D:xz P:z P:x P:z D:x2-y2 D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -6.681 -4.492 -4.492 -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="26">0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 1.00 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">17 60 9 7 16 17 12 105 11 7 70 64 99 84 105 16 9 64 14 17 93 68 98 7 12 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W O W W W W W Tc W W O O O O Tc W W O W W O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.944</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">8.78 7.52 5.95 5.88 5.19 3.92 3.79 3.54 3.28 2.96 2.90 2.84 2.33 2.13 1.98 1.87 1.83 1.68 1.60 1.29 1.22 1.18 1.15 1.13 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xy D:xz D:xy D:xy D:xz P:y P:z D:xy P:y D:xz D:x2-y2 P:y P:z P:z D:x2-y2 D:z2 P:y P:z D:z2 P:z P:y P:z D:yz 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 -9.089 -9.089 -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 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 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 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 4 18 18 22 21 28 77 1 57 5 18 46 42 26 21 5 44 30 21 24 24 33 21 85</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O O W O W W O O O W W O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.917</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="29">11.38 6.20 4.40 4.39 4.11 4.07 3.87 3.63 2.49 2.26 2.25 2.17 2.02 1.91 1.71 1.58 1.57 1.47 1.44 1.42 1.36 1.32 1.26 1.24 1.16 1.15 1.07 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">D:xz D:xz D:xy D:xy D:z2 D:yz P:y D:z2 P:x P:y P:z D:yz P:z D:z2 P:x P:x P:x P:x D:x2-y2 D:xy P:y D:xy D:x2-y2 D:x2-y2 D:xy P:z P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -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 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 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 0.80 0.80 0.80 0.80 1.33 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">12 7 7 12 9 14 61 13 68 91 59 8 92 14 99 69 101 71 8 13 58 15 7 14 9 83 92 105 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W O W O O O W O W O O O O W W O W W W W O O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.871</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="27">8.62 5.09 4.13 3.99 3.83 3.27 3.25 3.25 2.87 2.77 2.61 2.49 2.38 2.38 2.23 2.17 2.07 1.95 1.85 1.83 1.58 1.52 1.50 1.39 1.34 1.20 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:z2 D:z2 D:xy D:x2-y2 D:yz D:z2 P:x D:xy D:yz P:y D:xy P:x D:xz P:y D:z2 P:x P:z D:xz P:x D:xz D:xy D:yz P:z D:x2-y2 P:y D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 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="27">2 20 22 19 3 3 35 2 19 36 4 52 5 97 19 34 96 19 53 21 20 20 37 3 46 1 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W O W W O W O W O W O O W O 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">-3.846</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="31">13.53 7.58 6.75 3.44 3.01 2.60 2.38 2.34 2.30 2.26 2.18 1.97 1.96 1.92 1.83 1.81 1.64 1.63 1.60 1.45 1.34 1.28 1.23 1.21 1.18 1.14 1.14 1.02 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">D:xy D:xz D:xy D:xz D:z2 D:z2 D:yz D:z2 D:z2 P:y P:z P:z P:z P:z P:y P:y D:x2-y2 P:x P:y P:z P:x P:z P:z D:x2-y2 P:y D:yz P:z D:x2-y2 P:x D:x2-y2 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 -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 -9.089 -4.492 -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 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 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">11 16 15 10 9 13 14 16 14 51 76 63 65 93 84 91 10 101 98 98 69 83 59 8 94 8 94 14 68 16 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W O O O O O O O W O O O O O 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">-3.758</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">22.33 15.98 6.23 4.51 3.50 3.41 2.83 2.05 1.83 1.77 1.60 1.54 1.50 1.41 1.31 1.28 1.20 1.04 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 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:x2-y2 P:y D:xy P:y D:x2-y2 P:x P:x P:z D:xy D:xz P:z D:x2-y2 P:x D:xz P:y D:z2 D:z2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               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 -4.492 -9.089 -4.492 -4.492 -4.492 -0.504</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">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 0.80 1.33 0.80 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">6 6 85 6 37 2 81 100 45 21 6 37 21 37 21 45 2 19 2 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W O W O W O O O W 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">-3.736</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="14">18.04 10.12 9.18 6.06 4.86 4.35 3.65 3.58 2.32 1.99 1.93 1.87 1.79 1.34</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="14">1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="14">D:z2 D:xz D:x2-y2 P:z D:xz P:x P:x D:xz P:z D:xz P:z D:xz P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -6.681 -9.089 -6.681 -9.089 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.00 1.33 1.00 1.33 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">17 17 17 84 11 70 89 14 74 104 70 105 66 104</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">W W W O W O O W O Tc O Tc O Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.720</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">9.88 6.65 5.23 4.95 4.08 2.99 2.80 2.65 2.44 2.08 1.99 1.86 1.45 1.24 1.22 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="17">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:xz D:x2-y2 D:xz D:x2-y2 D:z2 D:xz D:yz D:x2-y2 D:xy D:yz D:xy P:x D:xz P:x D:xy P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -6.681 -9.089 -4.492 -9.089 -6.681 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">1.00 1.00 1.00 1.00 0.80 0.80 0.80 0.80 0.80 1.00 1.00 1.33 0.80 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">104 105 105 104 17 17 6 6 6 104 104 40 11 39 105 84 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">Tc Tc Tc Tc W W W W W Tc Tc O W O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.578</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="14">21.62 7.46 5.90 5.76 4.10 3.79 3.39 2.95 2.22 1.80 1.50 1.41 1.36 1.19</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:x2-y2 P:y D:xy P:y D:z2 P:x D:xy P:y P:x D:xy D:yz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">17 17 74 16 76 6 80 6 83 83 9 17 9 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">W W O W O W O W O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.570</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="18">19.40 7.31 5.57 4.23 4.00 3.24 3.17 3.11 2.59 2.00 1.93 1.63 1.61 1.57 1.26 1.23 1.14 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:z2 D:xy D:xy D:xz P:z D:xz P:z D:z2 P:x P:x P:z D:xy P:y D:x2-y2 P:z P:x D:yz P:y</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 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -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 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 6 17 4 100 6 44 19 43 97 86 16 74 17 97 100 17 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W O W O W O O O W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.508</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">6.91 4.36 3.70 2.73 2.72 2.62 2.50 2.50 2.32 2.13 2.10 1.98 1.56 1.54 1.54 1.31 1.17 1.11 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:xz D:yz D:xz D:x2-y2 D:z2 D:x2-y2 D:yz D:xz D:xz D:xy D:z2 D:xz D:xy P:x D:xz D:xz D:xy D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -6.681 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.00 1.00 1.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">17 1 6 18 105 6 6 105 104 105 18 20 12 1 34 7 4 104 18 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W Tc W W Tc Tc Tc W W W W O W W Tc W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.436</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="24">6.04 4.92 4.76 4.36 3.91 3.48 3.23 2.62 2.49 2.40 2.32 2.26 2.25 1.93 1.93 1.84 1.78 1.74 1.68 1.51 1.40 1.33 1.31 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">D:xy D:xy D:z2 D:xz D:z2 D:x2-y2 D:xz D:yz D:z2 D:x2-y2 D:xy D:xz D:yz D:z2 P:y P:z D:z2 D:z2 P:y D:yz D:z2 P:y D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 1.00 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 1.00 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">4 22 104 21 2 104 22 3 6 5 5 104 19 5 57 26 20 21 28 2 19 46 20 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W Tc W W Tc W W W W W Tc W W O O W W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.409</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="19">11.28 5.33 5.24 4.28 3.50 3.16 2.75 2.75 2.48 1.61 1.59 1.48 1.32 1.31 1.16 1.08 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:xz D:xz D:xz D:xy D:xz D:x2-y2 D:xy D:xy D:xz P:y P:y P:x D:xy D:x2-y2 P:z P:x D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -6.681 -6.681 -6.681 -6.681 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -6.681 -4.492 -9.089 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 1.00 1.00 1.00 1.00 0.80 0.80 0.80 1.33 1.33 1.33 1.00 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">17 12 7 104 105 105 104 12 7 1 70 84 69 104 7 76 101 18 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W Tc Tc Tc Tc W W W O O O Tc W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.338</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">7.81 4.94 3.73 3.50 3.15 3.03 3.02 2.99 2.39 2.38 2.34 2.04 2.01 1.87 1.84 1.69 1.61 1.53 1.51 1.38 1.36 1.28 1.28 1.27 1.26 1.24 1.16 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">D:z2 D:xy D:yz D:yz D:z2 D:x2-y2 D:xy D:z2 P:y D:xy D:z2 P:z D:x2-y2 D:x2-y2 P:y D:x2-y2 D:xz P:z D:xz D:xy P:y P:z D:xz D:xy D:xz D:yz D:xz P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -6.681 -9.089 -6.681 -4.492 -9.089 -4.492 -6.681 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.00 1.33 1.00 0.80 1.33 0.80 1.00 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">13 11 8 14 9 10 15 8 61 8 105 92 105 16 91 14 105 71 16 13 58 59 15 9 10 9 14 71 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W O W Tc O Tc W O W Tc O W W O O W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.283</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="25">8.53 8.38 7.00 5.62 4.65 3.09 2.85 2.71 2.63 2.57 2.29 1.76 1.71 1.59 1.48 1.43 1.39 1.34 1.31 1.27 1.22 1.11 1.10 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:xy D:z2 D:xz D:x2-y2 D:xy D:xz D:xy P:x D:z2 D:xz D:z2 D:z2 P:x D:yz P:z P:x D:z2 D:yz P:x P:z P:z P:y 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 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">4 20 21 3 22 5 20 38 2 3 3 21 27 6 30 34 19 3 53 31 29 24 36 24 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W O W W W W O W O O W W O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.256</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="23">10.66 9.02 4.97 4.42 4.07 3.42 2.95 2.84 2.79 2.50 2.40 2.38 1.92 1.91 1.85 1.75 1.72 1.60 1.51 1.48 1.17 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:xz D:z2 D:xy D:z2 D:x2-y2 D:yz D:xz D:xz P:x P:x D:xy D:z2 D:x2-y2 P:x P:y P:x P:z P:z P:z D:yz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 9 11 13 14 14 16 14 72 60 9 10 8 68 51 99 64 65 63 8 64 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O O W W W O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.220</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="25">11.26 6.44 5.55 5.31 4.67 4.65 4.60 4.40 4.16 3.39 3.08 2.94 2.83 2.74 2.23 2.11 2.04 1.92 1.83 1.61 1.46 1.33 1.29 1.22 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xy D:xy P:y D:xz D:xz P:x P:x D:x2-y2 P:z D:yz P:y D:xy D:yz D:yz D:xz P:z D:x2-y2 D:x2-y2 D:xy P:x P:x D:xz D:xy D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -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 -9.089 -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="25">0.80 0.80 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 1.33 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="25">3 1 32 20 18 48 87 20 55 2 86 19 20 19 1 45 2 18 18 55 45 3 2 19 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W O W W O O W O W O W 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">-3.215</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="23">8.90 7.88 7.14 6.78 6.20 5.98 4.72 4.63 3.80 3.60 3.46 2.86 2.63 2.43 2.37 2.04 2.02 1.65 1.61 1.28 1.16 1.13 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:z2 D:yz D:z2 D:yz P:y D:z2 P:z P:y P:z P:z D:z2 D:yz P:z D:yz D:x2-y2 P:y D:x2-y2 D:xy P:y D:x2-y2 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 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -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 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">15 10 11 7 16 88 12 67 89 90 80 15 12 79 10 12 79 15 10 90 10 7 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O W O O O O W W O W W O W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.173</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="28">5.94 5.70 5.34 4.33 4.17 3.63 3.53 2.84 2.74 2.52 2.25 2.06 2.00 1.50 1.46 1.45 1.31 1.27 1.20 1.18 1.15 1.10 1.09 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">D:xz D:xy D:xz D:xy D:yz D:x2-y2 D:x2-y2 P:x P:x D:xz D:yz D:yz D:xy P:z P:x D:x2-y2 D:xz D:xz P:x P:y P:x P:z P:x D:z2 D:z2 D:x2-y2 D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -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 -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 1.33 1.33 0.80 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 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">5 21 4 22 6 2 19 43 81 6 19 2 5 42 49 6 22 3 23 45 27 86 100 21 2 21 20 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O O W W W W O O W W W O O O O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.156</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="21">9.32 8.85 7.64 6.61 5.31 4.65 4.59 4.12 4.00 3.53 3.29 3.06 2.85 2.58 2.50 2.33 1.97 1.79 1.77 1.41 1.36</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:z2 D:z2 P:y P:z D:yz P:y D:z2 P:z P:z D:z2 D:yz P:y P:z D:x2-y2 P:y D:yz D:xy D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -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">0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 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">22 5 18 1 23 49 4 43 21 48 81 4 21 87 87 1 48 1 21 4 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O O W O W O O W W O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.151</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="21">7.49 6.87 5.18 4.94 4.90 4.28 4.17 4.06 3.97 3.78 3.74 3.50 3.12 3.01 2.79 2.78 2.71 2.53 2.48 1.83 1.82</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 D:xz P:x P:y D:x2-y2 D:xz D:yz P:y D:xy D:yz D:x2-y2 P:z P:z D:xz D:xy D:x2-y2 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 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">12 14 90 7 79 25 13 9 13 66 8 8 9 95 56 12 7 8 7 56 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W O W O O W W W O W W W O O W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-3.125</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="38">4.45 4.14 3.01 2.99 2.94 2.76 2.65 2.57 2.36 2.24 2.21 2.17 2.01 1.97 1.62 1.54 1.44 1.39 1.35 1.34 1.30 1.28 1.27 1.27 1.26 1.26 1.26 1.24 1.23 1.17 1.16 1.14 1.14 1.10 1.09 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">D:x2-y2 D:xz D:z2 D:x2-y2 D:xz P:z D:xz D:xz D:x2-y2 D:xz D:yz P:x D:xy D:xz D:xy D:xy D:xz D:xz D:x2-y2 P:y D:z2 P:x D:z2 P:x P:x D:xy P:z P:x D:xy P:x D:z2 P:z D:x2-y2 D:xy D:yz P:x D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-4.492 -4.492 -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 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.80 0.80 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 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">8 14 14 17 11 66 16 15 9 17 105 89 11 13 14 7 9 8 13 95 11 101 16 69 58 9 25 88 16 71 13 95 16 10 8 80 12 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">W W W W W O W W W W Tc O W W W W W W W O W O W O O W O O W O W O W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.945</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">444</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.93 6.23 5.89 5.00 4.41 3.63 3.58 3.37 3.22 2.93 2.77 2.39 1.66 1.43 1.38 1.37 1.32 1.30 1.28 1.22 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xz D:xy D:yz P:y P:z D:yz P:y P:z D:yz D:xz D:z2 D:yz D:xy D:xz D:x2-y2 D:yz P:z P:y D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -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 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">3 20 19 2 86 45 19 32 55 20 4 2 3 21 2 21 22 30 24 1 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W O O W O O W W W W W W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.937</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="22">8.52 5.42 4.04 3.88 3.77 2.96 2.84 2.56 2.54 2.43 2.34 2.29 2.13 2.04 1.93 1.66 1.53 1.39 1.36 1.26 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:xy P:y D:yz P:z D:z2 P:y D:x2-y2 D:xy D:xz D:x2-y2 D:z2 P:z P:x P:x D:yz P:y D:xy D:z2 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 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">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 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="22">11 16 16 89 15 80 10 88 9 10 10 13 15 67 80 67 10 99 15 14 15 10</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W O W O W W W W W O O O W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.906</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="29">7.01 5.45 4.42 4.34 3.45 3.43 3.24 3.23 2.48 2.16 1.94 1.89 1.71 1.68 1.59 1.49 1.44 1.34 1.25 1.25 1.20 1.19 1.15 1.11 1.10 1.07 1.07 1.06 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:xz D:xy D:x2-y2 D:xy D:xz D:z2 P:x D:yz D:x2-y2 P:x P:z D:yz D:xy P:x P:y D:xz D:z2 P:y P:y D:z2 D:x2-y2 D:z2 D:xy D:xz D:yz P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">21 3 22 20 5 4 19 81 5 2 49 32 22 20 43 23 5 4 43 55 2 3 21 2 22 4 23 55 96</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W O W W O O W W O O W W O O W W W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.883</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">8.44 4.95 4.50 4.13 3.70 3.68 2.98 2.96 2.95 2.66 2.54 2.48 2.43 2.37 1.99 1.86 1.52 1.45 1.41 1.37 1.20 1.19 1.18 1.12 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">D:xy D:xz D:xz D:yz D:yz P:y P:y D:xz D:xy D:xz D:yz P:z P:z D:z2 D:xz P:x D:xy D:xz D:xy D:xy D:z2 D:yz D:z2 P:z P:x 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 -9.089 -9.089 -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 -4.492 -4.492 -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 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">14 9 15 8 13 66 25 10 8 13 16 95 56 10 11 88 12 14 11 16 14 9 7 66 67 67 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W O O W W W W O O W W O W W W W W W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.870</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="23">5.96 5.24 5.16 4.91 4.70 4.63 3.30 3.06 3.03 2.61 2.52 2.34 2.25 1.87 1.78 1.74 1.74 1.57 1.35 1.23 1.22 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">D:xz D:xy D:xy D:xy P:x P:x D:z2 D:z2 D:xy D:xz D:xz D:z2 P:x D:x2-y2 D:x2-y2 P:y P:x P:y D:xy P:x P:z 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 -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 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 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 1.33 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 1 18 3 87 48 20 2 19 18 4 18 29 19 18 32 31 86 6 43 45 55 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O O W W W W W W O W W O O O W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.858</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="24">8.05 4.88 4.87 3.69 3.62 2.97 2.95 2.74 2.66 2.64 2.60 2.45 2.36 2.35 2.02 2.02 1.90 1.62 1.56 1.40 1.38 1.31 1.19 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:z2 D:xy D:z2 D:yz D:xz D:xy P:z D:xz P:x D:yz P:z P:x D:yz P:z D:xy D:xy D:yz D:yz D:x2-y2 D:z2 D:yz P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">7 12 12 11 9 7 90 7 79 15 79 90 12 95 16 10 9 13 12 10 16 89 60 88</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O W O W O O W O W W W W W W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.841</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">11.18 9.76 4.54 4.33 4.07 3.57 3.46 3.24 3.23 3.01 2.79 2.77 1.79 1.71 1.64 1.52 1.48 1.31 1.29 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:z2 D:z2 D:yz D:yz P:z D:x2-y2 P:y P:z D:x2-y2 D:yz D:yz P:y P:y D:yz P:z D:z2 D:yz P:y D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">18 1 22 5 48 1 87 87 18 4 1 48 23 6 49 2 21 43 21 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W O W O O W W W O O W O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.832</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="21">8.43 6.31 5.54 4.62 4.50 3.02 2.79 2.61 2.46 1.78 1.73 1.61 1.51 1.25 1.24 1.23 1.17 1.14 1.04 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:x2-y2 D:xz P:x P:x D:xz D:z2 D:xy D:x2-y2 D:xy D:x2-y2 P:y D:yz D:x2-y2 D:z2 D:z2 P:x P:x P:z D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -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 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">12 7 7 90 79 12 12 7 8 14 13 79 11 9 7 9 64 62 90 15 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W O O W W W W W W O W W W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.790</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">5.74 5.37 4.67 3.80 3.57 2.87 2.85 2.77 2.56 2.43 2.34 2.09 1.94 1.88 1.61 1.57 1.54 1.52 1.51 1.40 1.20 1.09 1.08 1.07 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xz D:xy D:yz D:xz D:xy D:x2-y2 D:z2 D:xy P:x D:xz D:z2 P:x D:xz P:x P:y D:xy P:y D:x2-y2 P:x P:z D:x2-y2 P:z D:xy D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -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="26">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 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">1 18 22 6 5 6 20 3 4 27 22 19 48 4 87 44 5 97 21 38 85 2 37 2 21 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W O W W O W O O W O W O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.731</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="26">7.95 7.87 4.90 4.20 3.82 3.78 3.58 3.46 3.43 3.05 2.58 2.47 2.11 1.56 1.52 1.52 1.41 1.39 1.26 1.20 1.18 1.17 1.16 1.14 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:yz D:z2 D:yz P:z D:z2 P:y P:y P:z D:yz D:x2-y2 D:z2 D:xy D:xz D:z2 D:x2-y2 D:xz D:x2-y2 P:z P:y D:z2 D:yz D:yz D:z2 D:xy P:x</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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -6.681 -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 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.00 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">22 5 21 4 49 4 43 23 81 21 2 19 3 22 20 21 3 4 34 53 104 19 2 5 2 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O W O O O W W W W W W W W W O O Tc W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.727</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">5.27 4.59 4.41 3.51 3.23 2.56 2.55 2.39 2.24 1.86 1.80 1.79 1.77 1.74 1.64 1.64 1.54 1.34 1.32 1.28 1.24 1.23 1.15 1.11 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:z2 D:z2 D:xy D:yz D:yz D:z2 D:z2 D:yz D:yz D:z2 D:xz D:yz P:y P:y P:y D:xy D:xz D:xy P:y D:xz P:y D:x2-y2 D:xz P:z 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 -4.492 -4.492 -6.681 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">17 13 8 11 8 11 14 9 14 15 7 15 105 70 84 89 9 9 17 58 11 88 9 14 66 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W Tc O O O W W W O W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.716</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">5.96 5.77 5.40 4.69 4.24 3.31 3.03 2.36 2.33 2.25 1.96 1.91 1.82 1.68 1.64 1.56 1.49 1.44 1.38 1.35 1.20 1.18 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:x2-y2 D:x2-y2 D:xy D:yz D:x2-y2 D:xy D:yz D:xz D:yz P:x P:z P:y D:z2 P:y P:y D:xy D:x2-y2 D:xy P:z D:xy P:z P:x D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -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 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">13 9 14 16 8 8 17 14 11 56 80 66 10 25 95 16 10 15 67 13 83 95 14 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W O O O W O O W W W O W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.698</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="21">12.61 6.07 5.01 3.84 3.36 2.95 2.33 2.22 2.18 2.14 1.67 1.62 1.62 1.62 1.58 1.46 1.25 1.21 1.19 1.16 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:x2-y2 P:x D:z2 D:xz D:z2 D:xz D:xz D:z2 D:yz P:y D:xz P:z D:z2 D:xy D:xy P:y D:xz P:x D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">5 20 49 20 21 21 22 20 104 2 55 18 96 3 4 6 96 1 42 104 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W O W W W W W Tc W O W O W W W O W O Tc O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.642</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="26">8.19 6.23 4.17 3.36 3.10 2.48 2.37 2.00 1.91 1.59 1.58 1.48 1.42 1.37 1.36 1.30 1.26 1.23 1.22 1.21 1.19 1.17 1.11 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 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:xz D:xy D:xy D:xz D:xz P:z D:xz P:z D:yz D:x2-y2 P:x P:x P:x P:y D:z2 P:z D:xy D:xz D:xz P:x D:xy P:x D:xy P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -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 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 1.33 1.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">8 15 8 15 12 14 25 11 51 14 14 68 89 58 61 17 63 7 7 13 70 11 88 105 66 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W O W W O O O O W O W W W O W O Tc O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.638</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="24">6.72 6.17 5.94 3.87 2.87 2.33 2.26 2.13 2.09 1.59 1.59 1.51 1.46 1.39 1.27 1.21 1.21 1.17 1.13 1.12 1.10 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:z2 D:xz D:xy D:yz D:xy D:xy P:x D:yz D:yz D:xz P:x P:y D:yz D:z2 D:z2 P:y P:x D:x2-y2 P:x D:x2-y2 D:z2 P:z D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">3 22 4 19 22 1 23 2 3 5 27 28 5 8 6 36 97 19 34 6 20 32 22 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O W W W O O W W W O O W O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.608</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">459</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.13 4.97 4.68 3.76 3.33 2.60 2.42 2.22 2.17 2.14 2.10 2.03 1.90 1.86 1.78 1.75 1.73 1.44 1.41 1.29 1.24 1.19 1.12 1.05 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:xz D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:xy D:xy D:xy P:x D:xz P:z D:yz P:x D:x2-y2 P:z P:x D:xy D:z2 D:yz P:z P:y D:xz 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 -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 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">13 9 16 10 11 9 10 13 15 13 10 99 7 92 8 60 16 71 72 7 7 10 76 94 12 94 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W O W O W O W O O W W W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.586</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="30">5.26 3.30 3.08 2.74 2.64 2.64 2.55 2.54 2.32 2.15 2.15 2.05 2.03 1.99 1.80 1.76 1.71 1.55 1.50 1.47 1.45 1.35 1.30 1.25 1.19 1.11 1.09 1.06 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:x2-y2 D:xy D:xz D:xy D:xz D:z2 D:xz D:xy D:xz P:x D:xz D:xz D:x2-y2 D:x2-y2 P:z P:x D:xy P:x P:x P:x D:x2-y2 P:z P:y P:z D:z2 D:xz 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 -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 -9.089 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">2 20 20 3 5 5 3 19 22 2 21 96 20 18 21 6 77 53 21 36 38 49 2 37 55 32 3 1 23 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W O W W W W O O W O O O W O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.564</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="34">5.22 4.93 4.55 3.71 3.21 2.93 2.74 2.39 2.16 2.10 2.06 2.03 1.99 1.95 1.89 1.77 1.70 1.57 1.53 1.53 1.49 1.47 1.42 1.37 1.32 1.32 1.31 1.27 1.25 1.18 1.17 1.12 1.10 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">D:xy D:xz D:xz D:xz D:xz D:xy D:xy D:xz D:z2 P:x P:z D:z2 D:x2-y2 P:x P:x D:x2-y2 D:z2 D:xy D:xy D:z2 P:y P:x P:z D:z2 D:xz P:y D:yz D:z2 D:xy P:z D:x2-y2 P:y P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               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 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 1.33 1.33 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 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="34">22 1 3 18 4 1 18 5 104 35 32 19 3 52 34 19 6 19 4 20 57 36 24 2 22 30 3 5 21 44 1 46 23 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="34">W W W W W W W W Tc O O W W O O W W W W W O O O 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">-2.548</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="30">5.05 4.22 3.94 3.77 3.62 3.62 3.27 2.70 2.48 2.36 1.97 1.94 1.93 1.88 1.86 1.82 1.73 1.72 1.62 1.59 1.59 1.51 1.38 1.38 1.36 1.30 1.14 1.13 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:z2 D:xz D:xy D:x2-y2 D:xy D:xz D:xz D:xz D:yz D:xz P:x D:z2 P:x D:xy P:x P:y D:xy D:xz D:xy P:x P:z D:yz P:z P:y P:x P:z P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">15 14 11 12 8 11 15 12 7 8 8 68 17 88 14 58 91 10 17 7 89 84 14 25 61 70 63 51 99 101</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W O W O W O O W W 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">-2.510</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">463</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.96 4.99 4.55 4.45 4.42 4.39 3.51 2.67 2.61 2.47 2.41 2.25 2.12 2.10 2.05 2.02 1.71 1.54 1.50 1.42 1.39 1.36 1.34 1.17 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:x2-y2 D:xz D:xy D:xz P:x D:z2 P:x D:xz D:yz D:xz P:z P:y D:x2-y2 D:xy D:yz D:z2 P:x P:y P:x P:z D:xz 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 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -6.681 -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="25">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.00 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="25">10 16 13 10 17 13 67 9 71 7 13 15 56 65 9 105 17 10 83 76 80 59 9 56 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O W O W W W O O W Tc 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">-2.467</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">464</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.34 3.00 2.24 2.14 1.99 1.84 1.81 1.80 1.77 1.77 1.52 1.35 1.34 1.32 1.32 1.28 1.24 1.10 1.07 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:xy D:xz D:xz D:xz D:xz D:yz D:xz D:yz D:z2 D:yz D:z2 D:xy D:z2 D:xz D:x2-y2 P:x P:x S D:x2-y2 D:yz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -14.028 -4.492 -6.681 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 2.00 0.80 1.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 16 6 11 105 17 6 12 13 19 8 2 22 13 15 20 40 100 107 9 105 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W Tc W W W W W W W W W W W O O P W Tc O</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">465</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.97 5.88 5.82 5.00 2.81 2.76 2.64 2.64 2.53 2.46 2.22 2.10 1.97 1.97 1.68 1.61 1.46 1.36 1.34 1.27 1.26 1.17 1.13 1.13 1.08 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:x2-y2 D:z2 D:x2-y2 D:z2 P:z D:xz D:xy P:x D:z2 P:z D:xz D:x2-y2 D:xz P:y D:z2 D:xz P:y D:xy D:xz P:y P:z D:xz D:z2 D:yz D:xy P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -4.492 -9.089 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -6.681 -4.492 -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="28">1.00 1.00 0.80 0.80 1.33 1.00 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.00 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">104 104 2 19 46 104 20 97 22 86 2 19 19 42 6 5 96 104 6 45 36 20 3 2 19 23 37 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">Tc Tc W W O Tc W O W O W W W O W W O Tc W O O W W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.392</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="21">4.29 3.52 3.51 3.45 3.11 2.69 2.63 2.49 2.22 1.95 1.70 1.55 1.53 1.43 1.37 1.27 1.25 1.19 1.16 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xz D:xy D:xz D:x2-y2 D:xz D:xy D:x2-y2 D:xy D:xy D:xz D:xz P:x D:xy P:x D:xz P:y D:xy P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -6.681 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.00 0.80 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">15 3 6 6 20 17 5 17 10 21 104 20 88 22 100 4 77 3 28 32 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W Tc W O W O W O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.292</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">4.60 2.48 2.27 2.23 2.12 2.00 1.89 1.89 1.73 1.66 1.51 1.36 1.28 1.25 1.23 1.17 1.15 1.14 1.08 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:xy D:xz D:z2 D:xy D:xy D:z2 D:z2 D:xy D:xy D:z2 D:xz D:z2 D:xz P:x D:xz D:z2 D:x2-y2 D:xz P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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="21">15 21 22 20 5 6 8 9 10 4 19 4 2 11 88 17 14 21 21 77 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W O W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.262</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">3.25 2.47 2.14 2.06 2.03 1.85 1.76 1.67 1.58 1.53 1.52 1.45 1.38 1.35 1.33 1.22 1.21 1.16 1.06 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:z2 D:z2 D:xz D:xz D:xy D:xz D:xz D:z2 D:yz D:x2-y2 D:z2 D:xz D:yz D:xz D:x2-y2 D:x2-y2 D:z2 D:xz D:z2 D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">9 8 7 11 4 15 18 20 17 14 13 21 6 10 1 3 19 16 14 2 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W W W W W W W W W W</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">469</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.91 6.84 4.70 4.41 3.72 3.46 2.65 2.60 2.55 2.42 2.01 1.68 1.63 1.54 1.48 1.47 1.40 1.35 1.25 1.16 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">D:xy D:xz D:x2-y2 D:z2 D:x2-y2 D:xz D:xz P:x D:xy P:x D:xy D:xz D:xy P:x D:xz D:x2-y2 D:yz D:xy D:xz P:y D:x2-y2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -6.681 -6.681 -4.492 -6.681 -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 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 1.00 1.00 0.80 1.00 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 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">16 11 105 105 13 105 8 80 105 89 15 14 11 56 10 8 16 9 16 59 10 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W Tc Tc W Tc W O Tc O W W W O W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.144</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="20">3.01 2.84 2.71 2.30 2.18 2.04 2.02 1.74 1.68 1.47 1.38 1.36 1.32 1.32 1.28 1.20 1.17 1.08 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:yz D:xy D:xy D:xz D:xy D:xy D:xz D:yz D:yz D:yz D:xz D:xy D:xz D:yz D:xz P:y D:z2 P:z P:y 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 -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</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 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">11 8 19 13 16 3 20 16 15 2 10 5 16 22 2 86 10 45 89 19</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 O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.129</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="20">9.32 8.90 7.85 4.77 4.04 3.52 3.32 3.16 2.77 2.76 2.76 2.68 2.25 2.06 2.04 1.60 1.27 1.18 1.17 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xz D:xy D:x2-y2 D:xz P:y D:z2 P:z D:xz D:xz P:x D:xy P:x P:z P:y P:x P:x D:xz D:xz P:x P:z</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 -9.089 -4.492 -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="20">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">4 21 20 3 77 3 28 6 20 43 3 81 32 55 36 96 21 22 85 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W O W O W 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">-2.112</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="26">5.08 3.83 3.51 2.56 2.53 2.12 2.07 2.03 1.91 1.83 1.78 1.74 1.71 1.65 1.61 1.52 1.49 1.26 1.23 1.19 1.18 1.11 1.11 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">D:xy D:yz D:xy D:yz D:x2-y2 D:yz P:x D:z2 D:xy D:yz D:yz D:xz P:y D:yz P:y D:xy P:z P:z D:yz P:x P:y P:z D:xz D:yz D:z2 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 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -9.089 -9.089 -9.089 -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 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 15 19 11 20 20 31 10 16 16 10 20 86 2 32 8 45 55 22 29 88 72 2 19 2 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W W W W W O W O W O O W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.099</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">473</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">12.23 9.45 4.36 4.17 4.08 3.48 2.93 2.69 2.30 2.20 2.16 2.09 1.97 1.94 1.67 1.59 1.54 1.36 1.35 1.24 1.17 1.08 1.07 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:xz D:xy D:xz D:z2 D:x2-y2 P:x P:x P:y P:z P:z P:x P:z P:x D:z2 D:xz D:xz D:xy D:x2-y2 D:yz P:y D:xy D:xz P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -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 -6.681 -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 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">15 10 14 14 9 88 67 92 61 66 61 51 70 17 9 10 14 17 9 95 105 17 65 65 92</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O O O O O O O O W W W W W W O Tc W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.987</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="22">7.86 7.47 4.41 4.38 4.36 3.29 2.82 2.31 2.17 1.94 1.76 1.72 1.72 1.65 1.61 1.58 1.26 1.22 1.14 1.12 1.09 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:yz D:xy D:yz P:z P:z D:xy D:z2 P:y P:z P:y P:x D:x2-y2 D:z2 P:y P:z P:y D:xz D:xy P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -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 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">18 1 4 1 22 34 52 18 4 43 48 35 48 2 19 23 87 53 3 3 87 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W O O W W O O O O W W O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.987</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">475</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">3.64 3.52 2.78 2.74 2.43 2.40 2.25 2.15 2.07 1.95 1.79 1.67 1.54 1.52 1.49 1.47 1.44 1.44 1.40 1.32 1.22 1.15 1.15 1.13 1.09 1.05 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xy D:x2-y2 D:yz D:z2 D:yz D:z2 D:z2 D:yz D:xz D:xz D:yz D:yz D:z2 P:y P:y P:x D:x2-y2 P:y P:x P:z D:x2-y2 D:x2-y2 D:xy D:yz P:z P:z 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 -4.492 -4.492 -9.089 -9.089 -9.089 -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="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 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="28">7 12 2 16 10 10 7 1 15 9 13 9 13 18 99 94 79 9 93 90 67 20 10 5 20 95 72 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W O O O 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">-1.982</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">476</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">5.03 4.69 4.65 3.94 3.63 3.11 2.99 2.85 2.77 2.28 1.44 1.41 1.28 1.13 1.12 1.10 1.09 1.06 1.06 1.05 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xy D:xy D:xy D:yz D:xz D:yz P:x D:xz P:x D:xy D:x2-y2 P:y P:y D:yz P:z D:z2 P:x D:xy P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">7 7 12 8 15 12 11 79 11 90 14 13 25 94 8 98 12 98 3 88 68 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W O W O W W O O W O W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.953</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="26">6.54 6.32 5.49 5.48 3.66 3.33 2.87 2.68 2.55 2.52 2.51 2.38 2.15 1.86 1.83 1.81 1.74 1.61 1.57 1.47 1.45 1.24 1.22 1.22 1.19 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:xz D:xz D:x2-y2 P:x P:x D:xy D:yz D:xy D:z2 P:x D:x2-y2 D:yz P:y D:x2-y2 P:y P:y D:yz D:yz P:x P:z D:z2 P:z D:xy P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -4.492 -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="26">0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 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="26">1 18 1 18 48 87 18 2 19 1 54 1 22 33 20 24 87 4 18 30 24 2 33 3 45 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O O W W W W O W W O W O O W W O O W O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.947</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="24">6.22 6.01 5.03 3.09 2.93 2.88 2.13 1.97 1.97 1.82 1.57 1.44 1.28 1.26 1.22 1.20 1.20 1.19 1.16 1.15 1.11 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:yz D:yz D:yz D:z2 D:xy D:yz P:z P:y P:z P:z D:yz D:xy D:yz P:y D:xy D:x2-y2 P:y P:y D:xy P:x D:yz P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -9.089 -4.492 -9.089 -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 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">5 21 4 21 14 22 81 53 49 38 15 8 9 38 21 9 66 43 3 64 14 27 27 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W O O O O W W W O W W O O W O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.945</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="24">10.91 9.85 5.11 3.88 3.73 3.46 3.41 2.99 2.98 2.95 2.86 2.72 2.28 2.03 2.01 1.75 1.75 1.29 1.13 1.13 1.13 1.08 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:z2 D:x2-y2 P:z D:yz P:z P:y P:y P:y P:z D:x2-y2 D:yz D:yz P:z D:yz D:xz D:z2 D:z2 P:y D:xz D:z2 P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 4.055 -9.089 4.055 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 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 0.80 0.80 1.33 0.80 0.00 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">7 12 7 101 11 90 69 99 79 68 12 12 15 79 16 11 10 16 90 7 7 89 12 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W O W O O O O O W W W O W W W W O W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.930</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="19">6.16 2.95 2.79 2.51 2.49 2.47 2.46 2.37 2.26 2.14 2.10 2.04 1.93 1.61 1.29 1.27 1.19 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xy D:x2-y2 D:xy D:yz P:y D:yz P:x D:yz D:yz D:x2-y2 D:yz D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:z2 D:z2 D:xz P:z</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 -9.089 -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="19">0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">14 8 16 9 66 21 64 4 5 9 14 13 2 14 12 19 21 22 95</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W O W O W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.906</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="22">6.28 3.62 3.48 3.38 3.23 2.38 2.32 2.17 1.71 1.62 1.52 1.42 1.21 1.19 1.18 1.16 1.15 1.13 1.12 1.08 1.04 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:x2-y2 D:z2 D:xy D:xy D:xz D:xz D:xz D:xz D:yz D:x2-y2 P:y D:yz P:z P:x P:x P:y P:x P:z D:yz D:xy 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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -9.089 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">2 19 5 16 11 22 13 19 11 19 26 16 86 45 97 59 80 57 15 8 49 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W O W O O O O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.834</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="23">11.93 8.93 5.55 4.55 4.33 2.80 2.71 2.39 2.33 2.28 2.13 2.12 1.96 1.58 1.44 1.42 1.30 1.30 1.29 1.17 1.15 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xz D:x2-y2 D:xy S P:x P:x P:z P:x D:xz D:xy S P:z P:x D:x2-y2 D:xy P:z P:z P:x D:xy D:xz S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -5.688 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -6.493 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -24.020 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 2.00 1.33 1.33 1.33 1.33 0.80 0.80 1.00 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">6 4 6 6 6 100 43 44 44 3 21 103 100 85 21 5 28 85 28 4 21 100 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O O O O W W H O O W W O O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.815</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="22">6.11 3.13 3.02 2.83 2.42 2.33 2.22 2.06 1.99 1.92 1.57 1.43 1.38 1.36 1.23 1.22 1.14 1.12 1.11 1.09 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:x2-y2 D:yz D:xy S D:xy D:x2-y2 D:z2 D:z2 P:x D:xz P:x D:xy D:x2-y2 D:yz P:z P:x P:y D:xz D:yz D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -5.688 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -4.492 -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 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 9 11 17 17 10 17 12 16 83 14 74 19 2 22 74 70 92 9 16 18 13</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W O W O W W W O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.811</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">484</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.06 3.53 2.73 2.63 2.60 2.19 2.16 1.95 1.81 1.53 1.45 1.37 1.32 1.31 1.26 1.18 1.16 1.14 1.13 1.07 1.05 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xz D:xy D:x2-y2 D:xy P:x D:xz D:xy S D:xy D:yz P:x D:xz P:x D:xy P:x D:xy D:x2-y2 D:yz D:yz P:y 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 -4.492 -5.688 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 1.33 0.80 0.80 2.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 17 9 8 83 14 9 17 19 22 70 13 74 10 62 18 2 11 16 92 17 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W O W W W W W O W O W 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">-1.796</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="23">4.02 3.39 3.09 2.54 2.46 2.10 1.95 1.91 1.72 1.64 1.46 1.31 1.31 1.31 1.28 1.19 1.17 1.15 1.15 1.14 1.14 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:z2 D:yz D:x2-y2 D:xy D:z2 D:xz D:yz D:yz D:yz D:yz D:xy D:xy P:y D:yz D:xz D:z2 D:xy P:z D:z2 D:xz P:x 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 -9.089 -4.492 -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="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 1.33 0.80 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="23">19 12 11 13 18 16 2 22 15 5 16 7 8 69 10 1 1 1 101 5 18 29 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W O W W W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.688</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">7.43 7.27 4.84 4.70 4.60 4.21 4.18 3.55 3.08 2.93 2.69 2.66 2.50 2.23 1.97 1.87 1.84 1.76 1.49 1.24 1.13 1.13 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:xz D:xy P:y D:x2-y2 P:z D:z2 D:x2-y2 D:z2 D:yz P:y P:z D:xz P:x D:z2 D:xz P:x D:xy D:xz D:xy D:xy P:x D:xz D:xy P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.492 -4.492 -9.089 -4.492 -9.089 -6.681 -6.681 -4.492 -4.492 -9.089 -9.089 -6.681 -9.089 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 4.055 -9.089 4.055 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 1.33 0.80 1.33 1.00 1.00 0.80 0.80 1.33 1.33 1.00 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.00 1.33 0.00 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">22 5 42 2 46 104 104 19 5 26 57 104 23 22 2 49 19 19 6 5 97 22 104 86 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W O W O Tc Tc W W O O Tc O W W O W W W W O W Tc O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.648</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="29">4.52 4.14 3.76 3.59 3.32 3.16 3.12 3.11 2.09 1.75 1.72 1.60 1.52 1.51 1.43 1.32 1.31 1.31 1.29 1.28 1.27 1.27 1.27 1.24 1.23 1.15 1.11 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:x2-y2 D:yz D:yz D:xz D:z2 D:z2 D:z2 P:y D:x2-y2 D:xz D:x2-y2 P:y D:x2-y2 D:yz D:z2 D:xy P:y D:x2-y2 D:xy P:z P:z P:x D:x2-y2 D:xz S D:z2 P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -9.089 -9.089 -4.492 -4.492 -14.028 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 2.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">21 18 22 4 1 18 1 5 53 20 4 19 87 21 5 2 18 24 2 22 52 34 35 22 19 106 3 48 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W O W W W O W W W W O W W O O O W W P W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.630</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">488</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">5.04 4.26 4.22 3.81 2.95 2.88 1.95 1.94 1.93 1.86 1.82 1.70 1.68 1.68 1.67 1.66 1.66 1.65 1.59 1.49 1.33 1.29 1.19 1.09 1.06 1.06 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xz D:xy D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:z2 P:x P:y D:xy D:z2 D:z2 D:yz D:yz D:yz D:z2 D:x2-y2 P:z D:yz P:z P:y D:z2 D:x2-y2 P:y D:z2 D:xz P:y S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -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 -4.492 -9.089 -4.492 -4.492 -9.089 -14.028</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 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">12 7 9 13 14 8 7 62 94 8 13 16 15 11 9 14 7 93 10 63 98 12 12 99 8 8 79 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W O O W W W W W W W W O W O O W W O W W O P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-1.527</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">489</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="13">17.41 7.88 5.69 3.93 3.52 3.49 3.27 3.09 2.01 1.39 1.09 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">D:xz P:x D:xz P:z D:x2-y2 D:xy D:z2 D:xz D:yz D:x2-y2 D:xy P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-6.681 -9.089 -6.681 -9.089 -6.681 -6.681 -4.492 -4.492 -6.681 -4.492 -6.681 -9.089 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">1.00 1.33 1.00 1.33 1.00 1.00 0.80 0.80 1.00 0.80 1.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">105 40 104 40 104 105 8 11 105 17 104 40 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">Tc O Tc O Tc Tc W W Tc W Tc O O</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">490</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">8.71 7.97 6.43 5.97 5.53 4.42 3.76 2.64 2.54 2.41 2.37 2.18 1.49 1.47 1.32 1.23 1.22 1.21 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:x2-y2 D:x2-y2 D:xy D:xy D:z2 P:y P:x P:y P:x D:yz D:xz P:x P:y D:xz D:xz P:z D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-6.681 -6.681 -4.492 -6.681 -4.492 -4.492 -9.089 -9.089 -9.089 -9.089 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.00 1.00 0.80 1.00 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">105 105 13 105 16 8 71 58 59 71 13 11 80 56 13 10 25 8 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">Tc Tc W Tc W W O O O O W W O O W W O W Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">491</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="9">19.87 19.74 2.41 2.39 1.50 1.24 1.22 -1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="9">2 2 3 3 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="9">S S S S S D:yz D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="9"
                               units="nonsi:electronvolt">-2.078 -2.078 0.215 0.215 -14.028 -4.492 -4.492 0.790 -14.028</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="9">1.00 1.00 0.00 0.00 2.00 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="9">108 109 108 109 106 18 1 104 107</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="9">Cs Cs Cs Cs P W W Tc P</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.857</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="23">3.58 3.48 2.63 2.42 1.79 1.78 1.73 1.70 1.63 1.59 1.52 1.44 1.32 1.26 1.15 1.14 1.09 1.06 1.06 1.03 1.02 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:yz D:yz D:yz D:yz D:xz D:z2 S S D:z2 D:yz D:xy D:yz D:z2 D:x2-y2 D:yz P:y P:y D:yz D:yz D:x2-y2 P:y D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -14.028 -14.028 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">1 18 12 7 9 4 107 106 21 5 14 22 15 7 13 48 90 16 8 8 35 20 87</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W P P W W W W W W W 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">-0.797</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="18">13.17 13.00 2.71 2.25 1.62 1.58 1.50 1.46 1.43 1.37 1.35 1.34 1.26 1.23 1.22 1.20 1.13 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S D:yz D:yz D:z2 D:z2 D:yz D:xy D:xz D:yz D:xy D:z2 D:x2-y2 D:xy D:yz D:x2-y2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               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 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">1.00 1.00 0.80 0.80 0.80 0.80 0.80 0.80 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="18">108 109 1 18 4 21 7 13 9 5 14 5 7 9 12 8 22 12</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">Cs Cs W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.774</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="24">4.06 3.72 3.70 3.62 3.40 3.18 2.89 2.40 2.38 2.25 2.10 2.04 1.88 1.77 1.52 1.47 1.45 1.44 1.36 1.35 1.21 1.19 1.12 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:z2 D:x2-y2 D:xy D:xz D:x2-y2 D:xy D:xy D:yz D:z2 P:x D:x2-y2 D:xy D:x2-y2 D:xz D:x2-y2 D:z2 P:y S P:z P:x D:yz D:z2 P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -2.078 -9.089 -9.089 -4.492 -4.492 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.33 1.33 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">18 1 20 20 18 1 2 19 5 31 3 3 19 3 22 21 33 108 54 55 3 22 32 2</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 W O Cs O O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.761</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="22">4.56 4.00 3.99 3.73 2.86 2.40 2.23 2.22 1.97 1.91 1.89 1.79 1.69 1.60 1.52 1.52 1.41 1.40 1.34 1.30 1.22 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:z2 D:yz D:z2 D:z2 D:yz D:xy D:x2-y2 D:x2-y2 D:yz D:x2-y2 D:z2 D:z2 D:xy D:xz D:xy D:x2-y2 D:x2-y2 D:yz D:xz D:yz P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">15 12 10 7 16 13 15 12 7 7 11 16 14 8 12 11 8 10 9 13 72 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W W W W W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.701</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="25">6.21 4.80 4.73 3.61 2.72 2.69 2.69 2.53 2.52 2.43 2.36 1.97 1.74 1.65 1.60 1.43 1.31 1.22 1.19 1.13 1.07 1.02 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:z2 D:x2-y2 D:x2-y2 D:z2 D:yz D:xz D:xz D:xy D:yz S D:x2-y2 P:z S D:yz D:z2 P:y D:z2 P:z D:xy P:y P:x D:x2-y2 D:yz D:yz 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 -2.078 -4.492 -9.089 -2.078 -4.492 -6.681 -9.089 -4.492 -0.504 -4.492 -9.089 -9.089 -6.681 -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 1.00 0.80 1.33 1.00 0.80 1.00 1.33 0.80 0.00 0.80 1.33 1.33 1.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">6 6 21 4 2 6 19 2 21 109 4 43 108 4 104 81 19 4 20 96 77 104 19 1 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W Cs W O Cs W Tc O W W W O O Tc W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.658</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="23">4.93 4.27 3.80 3.69 3.64 3.46 3.19 2.64 2.62 2.52 2.04 1.84 1.68 1.56 1.50 1.43 1.36 1.25 1.19 1.18 1.13 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 2 1 1 1 2 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:xy D:x2-y2 D:x2-y2 D:xz D:xz D:x2-y2 D:z2 D:xy D:z2 P:x D:xz S D:xy D:x2-y2 P:x S D:x2-y2 P:z P:x D:x2-y2 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 -4.492 -4.492 -4.492 -4.492 -9.089 -6.681 -2.078 -6.681 -4.492 -9.089 -2.078 -4.492 -9.089 -0.504 -4.492 -6.681 -6.681</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.00 1.00 1.00 0.80 1.33 1.00 0.80 1.33 0.00 0.80 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 9 16 17 14 17 11 14 17 11 66 105 108 105 14 95 109 9 58 14 12 105 105</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O Tc Cs Tc W O Cs W O W W Tc Tc</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.546</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">15.60 10.48 8.76 8.33 3.89 2.44 2.39 1.98 1.78 1.74 1.69 1.50 1.36 1.32 -1.31 1.16 1.14 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">2 1 2 3 2 1 3 2 3 1 3 2 2 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">S S S S S S S S S D:x2-y2 S S S D:xz S D:x2-y2 S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-5.688 -6.493 2.471 1.232 -5.688 -6.493 1.232 2.471 1.232 -4.492 1.232 -2.078 -2.078 -4.492 24.654 -4.492 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">2.00 1.00 0.00 0.00 2.00 1.00 0.00 0.00 0.00 0.80 0.00 1.00 1.00 0.80 0.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">6 103 103 6 17 102 21 102 4 4 17 108 109 19 100 21 21 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W H H W W H W H W W W Cs Cs W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.526</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="19">14.64 10.85 9.51 9.37 3.96 3.29 2.76 2.65 2.55 2.37 2.05 1.73 1.52 1.41 -1.22 1.22 1.20 1.15 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">2 1 3 2 3 2 3 1 3 2 2 3 3 2 2 2 3 3 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 P:x S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-5.688 -6.493 1.232 2.471 1.232 -5.688 1.232 -6.493 1.232 2.471 -5.688 1.232 1.232 -5.688 24.654 -0.504 1.232 1.232 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 1.00 0.00 0.00 0.00 2.00 0.00 1.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">17 102 17 102 14 6 9 103 6 103 14 16 21 9 74 17 11 4 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W H W H W W W H W H W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.504</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="4">35.70 35.18 1.28 1.24</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">2 2 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-2.078 -2.078 1.232 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">1.00 1.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">108 109 1 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">Cs Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.293</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="29">3.90 3.60 3.47 3.16 3.13 2.84 2.77 2.76 2.75 2.59 2.46 2.40 2.22 2.11 2.04 2.00 -1.98 1.90 1.89 1.88 1.77 1.69 1.62 1.62 1.56 1.19 1.19 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 3 2 2 3 3 3 3 2 3 3 3 2 2 1 1 2 1 1 1 2 1 2 2 1 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S S S S S S S S S S S D:z2 D:x2-y2 S D:yz D:x2-y2 D:yz S D:x2-y2 S S S P:x D:xz D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 1.232 1.232 1.232 -5.688 -5.688 -4.492 -4.492 0.790 -4.492 -4.492 -4.492 -5.688 -4.492 -5.688 -2.078 -14.028 -0.436 -4.492 -4.492 -2.078</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.80 0.80 0.80 2.00 0.80 2.00 1.00 2.00 0.00 0.80 0.80 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">22 22 5 18 5 18 2 19 1 21 4 1 21 4 4 21 104 3 4 20 2 22 19 108 106 109 20 5 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W Tc W W W W W W Cs P Cs W W Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.271</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="38">-3.92 3.90 3.67 3.66 3.54 3.53 3.35 3.31 3.15 2.67 2.49 2.39 2.37 2.20 2.00 -1.87 1.85 1.83 1.82 1.60 1.57 1.53 1.48 1.42 1.40 -1.32 1.29 1.26 -1.25 -1.24 1.23 1.22 1.15 1.14 1.10 1.07 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">2 2 3 2 2 3 3 2 3 3 3 1 3 3 2 2 1 2 2 2 1 1 1 2 1 3 2 2 1 1 1 2 1 1 3 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">S S S S S S S S S S S D:x2-y2 S S S S D:yz S S S S D:x2-y2 D:xz P:z D:xy S S P:x S S D:x2-y2 P:x D:yz D:z2 S D:xz D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">0.790 -5.688 1.232 -5.688 -5.688 1.232 1.232 -5.688 1.232 1.232 1.232 -4.492 1.232 1.232 -5.688 0.790 -4.492 -5.688 -5.688 -5.688 -14.028 -4.492 -6.681 -0.436 -4.492 1.232 -5.688 -0.436 -5.054 -5.054 -4.492 -0.436 -4.492 -4.492 1.232 -4.492 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">0.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 0.00 0.80 2.00 2.00 2.00 2.00 0.80 1.00 0.00 0.80 0.00 2.00 0.00 2.00 2.00 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">105 12 12 13 7 13 7 8 8 11 16 15 9 14 9 104 9 11 14 16 107 16 105 109 9 17 6 108 105 104 10 109 13 14 3 14 14 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="38">Tc W W W W W W W W W W W W W W Tc W W W W P W Tc Cs W W W Cs Tc Tc 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">-0.168</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="27">5.27 4.73 4.72 4.45 3.29 3.04 2.88 2.86 2.73 2.46 2.27 1.71 1.60 -1.53 1.52 1.45 1.42 1.40 1.27 1.25 1.18 1.15 1.12 1.11 -1.10 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 3 3 2 2 2 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S D:z2 D:z2 D:z2 D:xy S P:x D:xy D:yz D:x2-y2 S D:x2-y2 D:x2-y2 D:x2-y2 D:xz S D:x2-y2 P:z P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -4.492 -4.492 -4.492 -4.492 -5.054 2.224 -4.492 -4.492 -4.492 -5.054 -4.492 -4.492 -4.492 -4.492 0.790 -4.492 2.224 -9.089 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 0.80 0.80 2.00 0.00 0.80 0.80 0.80 2.00 0.80 0.80 0.80 0.80 0.00 0.80 0.00 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">22 5 13 8 22 5 13 8 22 4 5 13 104 107 9 21 14 105 5 22 8 8 105 15 106 49 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W Tc P W W W Tc W W W W Tc W P O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.156</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="21">3.53 2.49 2.40 2.34 2.30 1.89 1.84 1.73 1.54 1.50 1.49 1.28 1.24 1.21 1.16 1.07 1.03 1.03 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xy D:xy D:x2-y2 D:yz D:x2-y2 D:yz D:xz D:z2 D:z2 D:x2-y2 D:z2 D:x2-y2 P:y D:yz D:x2-y2 D:yz D:z2 D:x2-y2 D:z2 D:xz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -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="21">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">2 20 21 2 5 21 19 4 11 11 15 16 81 4 14 19 22 3 14 8 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W W W W W W O W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.140</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="20">3.30 3.16 2.54 2.24 2.20 2.02 1.75 1.61 1.48 1.46 1.45 1.44 1.34 1.23 1.19 1.10 1.09 1.07 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">D:z2 D:z2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy D:z2 D:xz D:z2 D:xy D:xy D:xy P:z P:x P:z D:yz D:x2-y2 P:z D:yz 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 -4.492 -9.089 -9.089 -9.089 -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 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">11 15 11 16 14 2 17 8 14 20 9 13 70 66 88 2 5 89 21 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W W W O O O W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.109</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">2.66 2.64 2.54 2.39 2.12 2.07 1.93 1.88 1.80 1.63 1.57 1.50 1.50 1.42 1.40 1.39 1.36 1.33 1.28 1.26 1.25 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:yz D:x2-y2 D:x2-y2 D:xy D:xz D:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:xy D:z2 D:x2-y2 D:yz D:x2-y2 D:z2 D:yz D:yz D:yz D:xz P:y 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 -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</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">8 1 5 4 13 9 15 22 21 14 9 5 22 4 1 4 20 7 12 14 49 13 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.101</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">5.63 5.09 4.01 2.95 2.62 2.10 2.02 1.88 1.87 1.84 1.79 1.77 1.68 1.48 1.44 1.43 1.25 1.21 1.12 1.09 1.06 1.06 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:x2-y2 D:yz D:x2-y2 D:yz D:z2 P:y D:z2 D:xz D:z2 P:z D:z2 D:xy P:y D:x2-y2 P:y D:z2 P:z P:y P:y D:x2-y2 P:y D:yz D:xz 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 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089 -4.492 -0.504 -0.504 -0.504 -4.492 -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 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.00 0.00 0.00 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">18 1 1 3 3 4 48 22 21 21 87 18 18 87 18 31 5 18 1 18 21 47 20 18 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W O W W W O W W O W O W W W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.094</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">10.36 8.40 3.03 2.75 2.49 2.42 1.99 1.77 1.68 1.58 1.51 1.47 1.46 1.34 1.26 1.21 1.17 1.10 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:yz D:yz D:x2-y2 P:y D:yz D:yz P:y P:y D:xy D:xz D:z2 P:z P:y D:x2-y2 D:xy D:x2-y2 P:y D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -0.504 -9.089 -4.492 -4.492 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -0.504 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 1.33 0.80 0.80 0.00 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">7 12 12 90 10 14 12 72 9 10 10 79 79 15 13 11 7 8 9</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W O W W W O W W W O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.060</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">509</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.34 3.08 2.66 2.51 2.41 2.34 2.14 1.99 1.95 1.87 1.68 1.59 1.52 1.45 1.38 1.36 1.30 1.28 1.27 1.25 1.22 1.22 1.10 1.08 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 3 3 2 2 3 3 2 2 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:x2-y2 S S S S S S S S S D:z2 D:x2-y2 S D:xz D:x2-y2 D:xz D:yz P:y D:yz S D:xy D:z2 P:z S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -6.493 -4.492 -4.492 2.471 -4.492 -4.492 -4.492 -4.492 -0.436 -4.492 -6.493 -4.492 -4.492 -0.436 2.471 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 1.00 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.00 0.80 1.00 0.80 0.80 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">4 22 5 22 5 13 8 13 8 103 21 14 103 9 3 8 9 108 10 102 20 5 109 102 3 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W H W W H W W W W Cs W H W W Cs H W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.029</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">510</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.62 5.66 3.49 3.45 2.81 2.42 2.21 2.09 1.88 1.82 1.69 1.46 1.44 1.43 1.35 1.34 1.31 1.28 1.24 1.17 1.15 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:x2-y2 D:z2 D:x2-y2 D:x2-y2 D:xy D:z2 D:x2-y2 D:yz D:x2-y2 D:z2 D:x2-y2 P:y D:z2 D:x2-y2 P:y D:xy D:yz P:z D:z2 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 -4.492 -4.492 -9.089 -4.492 -4.492 -9.089 -4.492 -9.089</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="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 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">18 1 18 1 1 3 20 5 12 21 22 20 7 27 21 4 38 18 4 27 18 38</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 W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-0.009</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">511</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">6.72 5.87 4.70 4.04 3.09 1.70 1.67 1.61 1.61 1.60 1.60 1.54 1.50 1.49 1.30 1.26 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 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="17">D:x2-y2 D:x2-y2 D:z2 D:z2 D:z2 D:xy P:z D:yz D:yz D:yz D:x2-y2 D:yz P:y P:z P:y D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -0.504 -9.089 -4.492 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="17">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.00 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">12 7 12 15 7 7 88 15 14 10 14 7 62 15 64 18 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">W W W W W W O W W W W W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.004</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="23">6.38 4.63 4.27 3.36 2.58 2.19 2.18 1.86 1.72 1.62 1.47 1.45 1.45 1.42 1.40 1.20 1.13 1.11 1.10 1.05 1.02 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 2 1 1 1 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xy D:x2-y2 D:x2-y2 D:x2-y2 P:x D:xy D:xz D:xz D:z2 D:yz D:z2 P:x D:z2 P:y P:x D:z2 D:x2-y2 D:x2-y2 D:z2 D:x2-y2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -0.504 -4.492 -9.089 -9.089 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -0.504</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 0.80 0.00 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">19 2 4 19 3 86 20 3 2 4 9 15 19 11 45 32 3 10 21 2 16 86 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W O W W W W W W W W O O W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.012</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="20">7.27 6.56 3.14 3.08 2.95 2.51 2.39 1.97 1.88 1.82 1.66 1.43 1.39 1.27 1.26 1.20 1.16 1.11 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:x2-y2 D:z2 D:yz P:y D:yz D:x2-y2 D:z2 P:z D:yz P:y D:yz D:xz D:xy P:y P:z D:z2 P:y D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -9.089 -4.492 -4.492 -4.492 -9.089 -4.492 -0.504 -4.492 -4.492 -4.492 -0.504 -0.504 -4.492 -9.089 -4.492 -5.688 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.00 0.80 0.80 0.80 0.00 0.00 0.80 1.33 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">16 11 9 80 10 10 16 89 16 16 13 19 9 10 11 15 67 13 10 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W O W W W O W W W W W W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.150</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="19">4.04 2.78 2.75 2.54 1.98 1.96 1.86 1.77 1.72 1.70 1.62 1.50 1.42 1.27 1.26 1.15 1.10 1.09 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:xz D:x2-y2 D:x2-y2 D:yz D:yz D:xy D:z2 D:x2-y2 D:x2-y2 D:z2 S D:x2-y2 D:xz D:yz S D:z2 D:yz S D:x2-y2</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 -6.493 -4.492 -4.492 -4.492 -6.493 -4.492 -4.492 2.471 -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 1.00 0.80 0.80 0.80 1.00 0.80 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">2 19 4 3 20 19 16 22 15 11 103 21 20 9 102 5 19 103 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W H W W W H W W H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.171</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">515</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.60 4.00 3.12 2.81 2.10 2.10 1.86 1.80 1.51 1.47 1.45 1.39 1.34 1.27 1.27 1.27 1.25 1.17 1.16 1.14 1.12 1.10 1.09 1.09 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 2 1 1 3 1 3 1 1 1 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:x2-y2 D:z2 D:x2-y2 D:xz D:x2-y2 D:xz D:xz D:yz D:z2 D:yz D:z2 D:x2-y2 D:yz P:y S P:z D:yz S D:z2 S D:xy D:yz D:x2-y2 S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -4.492 -9.089 -5.688 -9.089 -4.492 1.232 -4.492 1.232 -4.492 -4.492 -4.492 0.215 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 2.00 1.33 0.80 0.00 0.80 0.00 0.80 0.80 0.80 0.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">11 16 15 2 22 16 13 9 10 19 11 19 3 101 12 69 13 21 14 12 19 16 4 109 14 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W O W O W W W W W W W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.196</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="35">10.25 9.99 8.42 8.28 7.58 7.33 6.07 5.90 3.37 3.33 3.19 2.99 2.85 2.71 2.57 -2.50 -2.40 2.27 2.12 -2.06 2.02 -2.02 1.84 1.69 1.67 1.55 1.44 1.35 1.23 1.19 1.17 1.17 1.15 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">3 3 2 2 3 3 2 2 3 3 3 3 2 2 2 2 2 2 2 2 2 2 3 3 2 2 3 3 2 3 2 2 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">S S S S S S S S S S S S S S S P:y P:z S P:x P:y P:x P:z S S S S S S S S P:z S S P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 2.224 2.224 -5.688 -0.436 2.224 -0.436 2.224 1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 1.232 -0.436 -5.688 1.232 -0.436 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">7 1 7 1 18 12 18 12 11 4 9 2 4 9 11 107 106 2 109 106 108 107 14 21 14 21 19 22 22 16 108 19 13 109 13</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 P P W Cs P Cs P W W W W W W W W Cs W W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.240</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="31">5.96 5.40 5.00 4.65 4.51 4.48 4.29 4.13 4.04 3.87 3.78 3.71 3.65 3.62 3.07 3.07 2.91 2.36 2.33 1.86 1.46 -1.40 -1.40 1.37 1.36 1.27 1.19 1.15 1.12 1.09 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">3 3 2 3 3 2 3 2 3 3 2 2 3 2 2 2 3 3 2 2 3 2 2 3 3 3 2 3 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">S S S S S S S S S S S S S S S S S S S S S P:x P:y S S S S S D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 1.232 -5.688 1.232 -5.688 1.232 1.232 -5.688 -5.688 1.232 -5.688 -5.688 -5.688 1.232 1.232 -5.688 -5.688 1.232 2.224 2.224 1.232 1.232 1.232 -5.688 1.232 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">0.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">19 16 19 2 14 16 9 14 21 11 2 21 4 9 11 4 13 22 13 22 15 106 107 10 20 3 15 8 22 11 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">W W W W W W W W W W W W W W W W W W W W W P P W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.266</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="36">4.74 4.68 4.66 4.54 3.71 3.59 3.51 3.46 3.36 3.34 3.31 3.22 3.06 3.05 3.00 2.94 2.86 2.84 2.51 2.35 2.25 2.13 1.89 1.77 -1.74 1.66 1.64 1.52 1.47 -1.37 1.32 1.28 -1.23 1.18 1.18 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">2 3 3 2 3 3 3 3 2 3 2 3 2 2 2 3 2 3 2 2 2 2 3 3 2 2 2 2 2 2 3 3 2 1 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">S S S S S S S S S S S S S S S S S S P:y S S P:z S S P:y S S S S P:y S S P:z D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-5.688 1.232 1.232 -5.688 1.232 1.232 1.232 1.232 -5.688 1.232 -5.688 1.232 -5.688 -5.688 -5.688 1.232 -5.688 1.232 -0.436 -5.688 -5.688 -0.436 1.232 1.232 2.224 -2.078 -2.078 -5.688 -5.688 2.224 0.215 0.215 2.224 -4.492 -0.436 -0.436</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 1.00 1.00 2.00 2.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">5 5 8 8 2 18 12 11 22 22 13 13 18 2 12 7 11 1 109 7 1 108 16 19 106 109 108 16 19 107 108 109 107 22 108 109</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 Cs W W P Cs Cs W W P Cs Cs P W Cs Cs</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.331</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">6.79 5.10 4.44 4.33 3.14 2.88 2.83 2.51 2.42 2.23 2.12 2.09 2.06 2.01 1.95 1.94 1.78 1.74 1.73 1.67 1.62 1.58 1.52 1.50 1.40 1.26 1.14 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 3 3 3 2 3 2 3 3 3 3 3 2 2 2 2 2 3 3 2 2 3 3 2 2 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:z 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 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-0.436 -0.436 0.215 0.215 1.232 -5.688 1.232 -5.688 1.232 1.232 1.232 1.232 1.232 -5.688 -5.688 -5.688 -5.688 -0.436 1.232 1.232 -5.688 -5.688 1.232 1.232 -5.688 -5.688 -5.688 0.031 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">108 109 109 108 19 19 2 2 21 4 18 11 16 16 11 18 21 109 1 14 4 1 12 9 12 14 9 108 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">Cs Cs Cs Cs W W W W W W W W W W W W W Cs 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">0.339</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="28">8.52 8.15 5.69 5.32 4.02 3.65 3.34 3.15 2.61 2.48 2.44 2.43 2.16 2.07 1.91 1.86 1.74 1.70 1.51 1.36 1.35 -1.25 1.23 1.21 1.15 1.13 1.12 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 2 3 2 2 3 2 3 1 3 2 2 3 1 2 3 1 2 1 2 2 2 3 2 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S D:x2-y2 S S S S S S S D:x2-y2 S D:yz S S P:y S S D:yz S D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.232 -5.688 1.232 -5.688 -5.688 1.232 -5.688 1.232 -4.492 1.232 -5.688 -5.688 1.232 -6.493 -5.688 1.232 -4.492 -5.688 -4.492 -5.688 -5.688 2.224 1.232 2.471 -4.492 0.790 -4.492 1.232</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.80 0.00 2.00 2.00 0.00 1.00 2.00 0.00 0.80 2.00 0.80 2.00 2.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">16 16 11 11 19 19 2 2 5 18 18 9 9 103 1 1 22 5 18 12 14 107 12 103 21 104 1 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W H W W W W W W W P W H W Tc W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.348</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="33">3.93 3.92 3.46 3.39 3.20 3.13 2.74 2.72 2.36 2.07 1.94 1.87 1.80 1.79 1.78 1.60 1.45 1.44 1.42 1.37 1.36 1.36 -1.29 1.19 1.19 1.17 1.14 1.09 1.08 1.07 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 2 3 2 2 3 1 1 1 3 3 1 2 2 3 3 1 3 2 3 1 2 1 2 3 2 2 2 2 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S D:xz D:x2-y2 S S D:x2-y2 S S S S D:yz S S S D:yz P:x D:x2-y2 S S S S S S D:x2-y2 D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.232 1.232 -5.688 1.232 -5.688 -5.688 1.232 -6.493 -4.492 -4.492 1.232 1.232 -4.492 -5.688 2.471 1.232 1.232 -4.492 1.232 -5.688 1.232 -4.492 2.224 -4.492 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 2.00 0.00 2.00 2.00 0.00 1.00 0.80 0.80 0.00 0.00 0.80 2.00 0.00 0.00 0.00 0.80 0.00 2.00 0.00 0.80 0.00 0.80 2.00 0.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">7 19 7 4 4 19 3 102 8 14 9 20 11 3 102 10 15 13 1 9 2 8 106 16 10 12 20 15 1 2 5 12 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W H W W W W W W H W W W W W W W P W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.392</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="25">4.90 4.16 3.99 3.95 3.90 3.88 3.61 3.43 3.07 2.93 2.93 2.89 2.35 2.20 1.80 1.53 1.42 1.39 1.36 1.29 1.29 1.13 1.12 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">2 1 3 2 2 2 2 3 3 3 2 1 3 3 1 2 1 1 3 3 1 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S D:z2 S S S S S S S S S D:xy S S D:x2-y2 S P:z D:xy S S D:z2 P:y D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-5.688 -4.492 1.232 -5.688 -5.688 -5.688 -5.688 1.232 1.232 1.232 -5.688 -4.492 1.232 1.232 -4.492 -5.688 -9.089 0.031 1.232 0.215 -4.492 -9.089 -4.492 1.232 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 0.80 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 2.00 0.80 0.00 0.00 0.80 2.00 1.33 0.00 0.00 0.00 0.80 1.33 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">21 22 12 14 4 12 9 21 14 18 18 13 4 9 5 5 23 108 11 108 5 49 8 2 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W O Cs W Cs W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.432</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">523</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.46 5.42 3.67 3.32 3.26 2.96 2.64 1.95 1.87 1.82 1.77 1.71 1.71 1.70 1.58 1.47 1.47 1.43 1.42 1.35 1.34 1.29 1.26 1.15 1.13 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">2 2 3 1 1 3 2 2 1 2 1 2 2 2 2 2 3 3 2 3 3 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S D:x2-y2 D:xz S P:y S D:xy S D:z2 P:z S S S S S S P:y S S S D:z2 P:y S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-5.688 -5.688 1.232 -4.492 -4.492 1.232 -0.436 -5.688 -4.492 -5.688 -4.492 -0.436 -5.688 -5.688 -5.688 -5.688 1.232 1.232 -0.436 1.232 1.232 -5.688 -4.492 -9.089 -6.493 -6.493 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">2.00 2.00 0.00 0.80 0.80 0.00 0.00 2.00 0.80 2.00 0.80 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.00 0.80 1.33 1.00 1.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">9 4 9 5 8 4 108 16 13 19 22 109 13 3 10 22 16 3 109 10 19 8 11 49 102 103 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W Cs W W W W Cs W W W W W W Cs W W W W O H H W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.478</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">524</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.27 5.34 5.34 5.05 4.85 4.21 3.41 2.98 2.36 2.17 2.16 1.94 1.90 1.85 1.83 1.80 1.64 1.61 1.57 1.57 1.51 1.50 1.48 1.40 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 2 2 2 2 2 3 3 1 2 1 2 2 1 1 1 2 3 2 3 2 1 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z S P:y S P:z S S D:z2 S D:xy S S S S D:yz S S S S S D:yz S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-0.436 -0.436 -5.688 -0.436 -5.688 -0.436 1.232 1.232 -4.492 -5.688 -4.492 -5.688 -2.078 -6.493 -6.493 0.031 -2.078 1.232 -5.688 1.232 -5.688 0.031 1.232 1.232 2.471 2.471</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.80 2.00 0.80 2.00 1.00 1.00 1.00 0.00 1.00 0.00 2.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 109 14 109 21 108 14 21 22 2 13 11 108 103 102 108 109 15 15 2 20 109 20 11 102 103</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs W Cs W Cs W W W W W W Cs H H Cs Cs W W W W Cs W W H H</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.508</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">4.58 4.05 3.76 3.39 2.06 1.84 1.84 1.80 1.78 1.68 1.62 1.59 1.56 1.49 1.46 1.44 1.44 1.40 1.30 1.26 1.23 1.11 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 2 2 2 2 2 2 2 3 2 1 1 2 1 3 2 3 1 1 2 3 1 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S D:x2-y2 D:z2 S P:x S S S D:x2-y2 P:x S S D:xy D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-5.688 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 -5.688 1.232 -5.688 -4.492 -4.492 -5.688 -5.485 1.232 -5.688 1.232 -4.492 -5.485 -5.688 1.232 -4.492 -4.492 1.232</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 0.00 2.00 0.80 0.80 2.00 1.00 0.00 2.00 0.00 0.80 1.00 2.00 0.00 0.80 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">13 22 8 5 3 15 10 20 13 16 16 15 19 107 8 11 22 10 106 2 5 20 4 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W P 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">0.569</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="20">8.56 8.07 5.24 4.33 3.46 2.70 2.60 2.30 2.19 2.15 1.99 1.74 1.64 1.57 1.40 1.29 1.26 1.23 1.18 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">3 3 1 1 1 1 2 2 2 2 2 2 1 1 1 1 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S D:yz D:yz D:x2-y2 D:z2 P:y P:x S S S S D:xz D:xy D:yz S P:z S P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">0.215 0.215 0.031 0.031 0.031 0.031 -0.436 -0.436 -5.688 -5.688 -5.688 -5.688 0.031 0.031 -4.492 -6.493 -0.436 -6.493 -0.436 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 1.00 0.00 1.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">109 108 109 108 108 109 109 108 1 7 18 12 108 109 12 102 108 103 109 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">Cs Cs Cs Cs Cs Cs Cs Cs W W W W Cs Cs W H Cs H 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">527</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">3.00 2.82 2.50 2.38 2.12 1.71 1.62 1.61 1.52 1.42 1.37 1.34 1.33 1.33 1.28 1.17 1.16 1.16 1.15 1.11 1.10 1.09 1.05 1.02 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 3 1 1 1 1 1 2 1 2 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:z2 S D:x2-y2 D:xz D:x2-y2 D:xy D:z2 P:x D:z2 S P:z D:z2 D:x2-y2 P:y D:x2-y2 S D:x2-y2 S D:xz D:yz D:xz D:xy P:y D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.492 -4.492 0.215 -4.492 -4.492 -4.492 -4.492 -4.492 -0.436 -4.492 -5.688 -0.436 -4.492 -4.492 -0.436 -4.492 -5.688 -4.492 -5.688 -4.492 -4.492 -4.492 0.031 -9.089 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.80 2.00 0.00 0.80 0.80 0.00 0.80 2.00 0.80 2.00 0.80 0.80 0.80 0.00 1.33 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">2 11 108 5 19 3 20 22 109 15 11 108 4 19 108 10 3 16 20 8 10 3 109 49 21 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W Cs W W W W W Cs W W Cs W W Cs W W W W W W W Cs O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.610</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">528</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">3.88 3.30 2.80 2.59 2.58 2.47 2.32 2.29 2.25 2.16 2.10 2.08 2.05 2.03 1.89 1.88 1.84 1.76 1.45 1.42 1.40 1.35 1.31 1.25 1.24 1.21 1.19 1.15 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">2 2 1 2 2 1 1 2 2 2 2 1 3 3 2 1 3 3 2 1 2 1 2 3 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S D:yz S S S S S S S S D:yz S S S D:yz S S S D:z2 S D:yz S S D:xz D:x2-y2 D:x2-y2 D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-5.688 -5.688 -4.492 -5.688 -5.688 -6.493 -6.493 -5.688 -5.688 -5.688 -5.688 -4.492 1.232 1.232 -5.688 -4.492 1.232 1.232 2.471 0.031 -5.688 0.031 2.471 1.232 0.031 -4.492 -4.492 -4.492 -5.688</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">2.00 2.00 0.80 2.00 2.00 1.00 1.00 2.00 2.00 2.00 2.00 0.80 0.00 0.00 2.00 0.80 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">7 1 1 10 3 102 103 12 15 18 20 7 15 10 8 18 3 20 102 109 5 108 103 7 109 1 12 11 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W H H W W W W W W W W W W W H Cs W Cs H W Cs W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.626</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="23">4.90 4.80 3.22 2.97 2.95 2.79 2.30 2.10 1.85 1.75 1.58 1.50 1.40 1.40 1.39 1.33 1.30 1.24 1.11 1.10 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 2 2 2 1 2 1 1 1 1 1 1 2 1 1 1 3 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S P:x P:x P:z P:y D:xz P:y D:xy D:z2 D:x2-y2 D:xz D:z2 D:z2 P:z D:x2-y2 D:x2-y2 D:xy S D:z2 D:x2-y2 S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">0.215 0.215 -0.436 -0.436 -0.436 -0.436 -4.492 -0.436 -4.492 -4.492 -4.492 0.031 -4.492 -4.492 -0.436 -4.492 -4.492 0.031 1.232 -4.492 -4.492 1.232 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">109 108 108 109 109 108 8 109 13 11 5 109 15 13 108 14 16 108 4 22 8 9 108</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">Cs Cs Cs Cs Cs Cs W Cs W W W Cs W W Cs 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">0.660</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="26">7.05 5.95 5.33 4.97 4.59 4.04 2.35 2.25 2.24 1.76 1.74 1.69 1.64 1.58 1.49 1.46 1.33 1.24 1.23 1.15 1.14 1.14 1.13 1.09 1.07 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 1 1 2 2 1 1 2 3 2 1 2 2 1 3 2 2 3 2 1 1 1 2 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S P:z P:y D:z2 D:z2 S S S D:yz P:x S D:x2-y2 S S S S S D:x2-y2 D:xy D:xz P:x S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">0.215 0.215 -5.054 -5.054 -0.436 -0.436 0.031 0.031 -5.688 1.232 -5.688 -4.492 -0.436 -5.688 -4.492 1.232 -5.688 -5.688 1.232 -5.688 0.031 0.031 -4.492 -0.436 -5.688 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.80 0.00 2.00 0.80 0.00 2.00 2.00 0.00 2.00 0.00 0.00 0.80 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">109 108 104 105 109 108 109 108 9 9 4 7 109 14 16 4 5 22 14 21 108 109 19 108 13 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs Cs Tc Tc Cs Cs Cs Cs W W W W Cs W W W W W W W Cs Cs W Cs W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.749</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="26">4.77 4.05 3.73 3.55 3.42 3.14 2.95 2.80 2.79 2.65 2.12 2.09 1.82 1.75 1.71 1.69 1.61 1.54 1.45 1.25 1.17 1.15 1.14 1.10 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">2 2 2 1 1 2 3 2 3 2 3 1 3 1 1 1 2 2 2 1 1 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z S S D:yz D:yz P:y S S S S S D:z2 S D:xz D:xy D:x2-y2 S P:x S D:yz D:xz D:x2-y2 P:y S D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-0.436 -5.688 -5.688 0.031 0.031 -0.436 1.232 -5.688 1.232 -5.688 0.215 -4.492 0.215 -4.492 0.031 -4.492 -5.688 -0.436 -5.688 -4.492 -4.492 0.031 -5.485 1.232 0.031 -4.492</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 0.80 0.00 0.80 2.00 0.00 2.00 0.80 0.80 0.00 1.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">108 22 13 108 109 109 13 4 22 9 108 11 109 19 108 16 19 109 16 12 2 109 107 5 109 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">Cs W W Cs Cs Cs W W W W Cs W Cs W Cs W W Cs W W W Cs P W Cs W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">0.795</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="43">5.87 5.34 4.64 4.07 3.79 3.29 3.22 3.21 2.85 2.77 2.75 2.65 2.53 2.52 2.52 2.47 2.46 2.38 1.76 1.71 1.64 1.61 1.52 1.48 -1.39 1.37 1.33 1.28 1.23 1.22 1.21 -1.20 1.20 1.19 -1.17 -1.17 -1.10 1.05 1.05 1.04 -1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="43">2 2 2 3 3 2 2 2 2 3 2 3 3 2 3 2 2 2 2 1 1 2 2 1 2 3 2 3 3 3 3 2 3 3 2 3 2 1 1 3 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="43">S S P:x S S S S P:x S S S S S S S S S S S S S S P:z D:xy P:x S P:y S S S S S S S P:x S S D:xy D:x2-y2 S S D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="43"
                               units="nonsi:electronvolt">-5.688 -5.688 -0.436 1.232 1.232 -5.688 -5.688 -0.436 -5.688 1.232 -5.688 1.232 1.232 -5.688 1.232 -5.688 -5.688 -5.688 -5.688 -6.493 -6.493 -5.688 -0.436 0.031 2.224 1.232 -0.436 1.232 1.232 1.232 1.232 0.790 1.232 1.232 2.224 1.232 0.790 0.031 -4.492 1.232 1.232 -4.492 0.031</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="43">2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 2.00 2.00 1.00 1.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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="43">21 14 108 21 14 11 2 109 10 11 3 2 9 4 4 8 9 5 20 102 103 15 109 108 107 19 109 10 3 16 5 104 20 8 106 6 105 109 4 15 17 10 109</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="43">W W Cs W W W W Cs W W W W W W W W W W W H H W Cs Cs P W Cs W W W W Tc W W P W Tc Cs W W W W Cs</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
