<?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">2021.106</scalar>
               </parameter>
               <parameter dictRef="cc:programSubversion">
                  <scalar dataType="xsd:string">r99350</scalar>
               </parameter>
               <parameter dictRef="cc:compileDate">
                  <scalar dataType="xsd:string">2021-12-03</scalar>
               </parameter>
               <parameter dictRef="cc:runDate">
                  <scalar dataType="xsd:date">2022-09-26T15:03:01.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:runtype">
                  <scalar dataType="xsd:string">GEOMETRY OPTIMIZATION</scalar>
               </parameter>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string" id="method">DFT</scalar>
               </parameter>
               <parameter dictRef="cc:functional">
                  <scalar dataType="xsd:string">PBE0                                    == Not Default ==</scalar>
               </parameter>
            </parameterList>
            <molecule id="geometry">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="1.069784"
                        y3="1.812402"
                        z3="-1.764696"/>
                  <atom elementType="W"
                        id="a2"
                        x3="0.247038"
                        y3="3.544374"
                        z3="-2.175245"/>
                  <atom elementType="O"
                        id="a3"
                        x3="0.302278"
                        y3="3.916701"
                        z3="-0.035536"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.024734"
                        y3="3.662487"
                        z3="1.745720"/>
                  <atom elementType="O"
                        id="a5"
                        x3="1.914501"
                        y3="3.328268"
                        z3="2.076653"/>
                  <atom elementType="W"
                        id="a6"
                        x3="3.125545"
                        y3="1.814751"
                        z3="2.023630"/>
                  <atom elementType="O"
                        id="a7"
                        x3="2.511034"
                        y3="1.282217"
                        z3="3.703400"/>
                  <atom elementType="W"
                        id="a8"
                        x3="1.864127"
                        y3="-0.165350"
                        z3="5.050847"/>
                  <atom elementType="O"
                        id="a9"
                        x3="0.825375"
                        y3="-1.467701"
                        z3="5.940075"/>
                  <atom elementType="W"
                        id="a10"
                        x3="-1.110522"
                        y3="-1.546920"
                        z3="5.053219"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-1.642570"
                        y3="0.056100"
                        z3="5.943261"/>
                  <atom elementType="W"
                        id="a12"
                        x3="-0.779812"
                        y3="1.705078"
                        z3="4.977069"/>
                  <atom elementType="O"
                        id="a13"
                        x3="-2.357209"
                        y3="1.476943"
                        z3="3.743428"/>
                  <atom elementType="W"
                        id="a14"
                        x3="-3.145730"
                        y3="1.574157"
                        z3="2.032507"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-4.123800"
                        y3="-0.067622"
                        z3="2.231447"/>
                  <atom elementType="W"
                        id="a16"
                        x3="-3.222728"
                        y3="-1.799402"
                        z3="1.831929"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.481388"
                        y3="-1.630657"
                        z3="3.811293"/>
                  <atom elementType="W"
                        id="a18"
                        x3="-0.229417"
                        y3="-0.386940"
                        z3="0.168868"/>
                  <atom elementType="O"
                        id="a19"
                        x3="0.620147"
                        y3="-1.614877"
                        z3="1.412311"/>
                  <atom elementType="W"
                        id="a20"
                        x3="3.015169"
                        y3="-1.955090"
                        z3="1.866672"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.541513"
                        y3="-1.325879"
                        z3="3.703664"/>
                  <atom elementType="O"
                        id="a22"
                        x3="0.753652"
                        y3="-1.398261"
                        z3="-1.193222"/>
                  <atom elementType="W"
                        id="a23"
                        x3="0.119705"
                        y3="-3.579199"
                        z3="-1.765812"/>
                  <atom elementType="O"
                        id="a24"
                        x3="1.996194"
                        y3="-3.453394"
                        z3="-2.128922"/>
                  <atom elementType="W"
                        id="a25"
                        x3="2.906106"
                        y3="-1.680779"
                        z3="-1.974796"/>
                  <atom elementType="O"
                        id="a26"
                        x3="3.106587"
                        y3="-2.145645"
                        z3="0.031043"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-1.612552"
                        y3="-0.065660"
                        z3="-1.190632"/>
                  <atom elementType="W"
                        id="a28"
                        x3="-3.007705"
                        y3="1.726529"
                        z3="-1.786519"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-3.405258"
                        y3="1.627219"
                        z3="0.088130"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.589606"
                        y3="1.075243"
                        z3="0.682391"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-1.722047"
                        y3="-0.289394"
                        z3="1.417609"/>
                  <atom elementType="W"
                        id="a32"
                        x3="3.041866"
                        y3="2.101368"
                        z3="-1.814038"/>
                  <atom elementType="O"
                        id="a33"
                        x3="3.275363"
                        y3="2.281342"
                        z3="0.048976"/>
                  <atom elementType="O"
                        id="a34"
                        x3="4.678015"
                        y3="2.612676"
                        z3="-2.359611"/>
                  <atom elementType="O"
                        id="a35"
                        x3="3.270692"
                        y3="0.124016"
                        z3="-1.570866"/>
                  <atom elementType="O"
                        id="a36"
                        x3="2.719785"
                        y3="1.431951"
                        z3="-3.855002"/>
                  <atom elementType="W"
                        id="a37"
                        x3="1.916747"
                        y3="0.257119"
                        z3="-5.011654"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.882393"
                        y3="-1.415462"
                        z3="-5.948935"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-0.726445"
                        y3="-1.698993"
                        z3="-5.038486"/>
                  <atom elementType="O"
                        id="a40"
                        x3="-1.655041"
                        y3="-0.062709"
                        z3="-5.924732"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-1.064484"
                        y3="1.549085"
                        z3="-5.084735"/>
                  <atom elementType="O"
                        id="a42"
                        x3="-0.173193"
                        y3="3.021546"
                        z3="-3.910037"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.256961"
                        y3="3.843489"
                        z3="-2.255892"/>
                  <atom elementType="O"
                        id="a44"
                        x3="4.527668"
                        y3="-2.313360"
                        z3="-2.297313"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.448167"
                        y3="-1.214325"
                        z3="-3.734452"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-0.173263"
                        y3="-5.245396"
                        z3="-2.304512"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-1.666447"
                        y3="-2.862574"
                        z3="-1.497529"/>
                  <atom elementType="W"
                        id="a48"
                        x3="-3.057141"
                        y3="-1.626361"
                        z3="-2.036960"/>
                  <atom elementType="O"
                        id="a49"
                        x3="-3.583131"
                        y3="-1.761396"
                        z3="0.031386"/>
                  <atom elementType="O"
                        id="a50"
                        x3="-0.121983"
                        y3="-2.837290"
                        z3="-3.682277"/>
                  <atom elementType="O"
                        id="a51"
                        x3="0.264066"
                        y3="-3.940037"
                        z3="0.068939"/>
                  <atom elementType="W"
                        id="a52"
                        x3="0.053854"
                        y3="-3.577979"
                        z3="2.086542"/>
                  <atom elementType="O"
                        id="a53"
                        x3="2.043066"
                        y3="-3.575308"
                        z3="2.219182"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.421192"
                        y3="-2.701866"
                        z3="-2.407763"/>
                  <atom elementType="O"
                        id="a55"
                        x3="-2.342148"
                        y3="-1.476655"
                        z3="-3.722139"/>
                  <atom elementType="O"
                        id="a56"
                        x3="-4.005676"
                        y3="0.061705"
                        z3="-2.125104"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-1.497464"
                        y3="-2.827861"
                        z3="-6.202215"/>
                  <atom elementType="O"
                        id="a58"
                        x3="0.047085"
                        y3="0.058945"
                        z3="-4.092779"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-0.123241"
                        y3="-5.313910"
                        z3="2.448090"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-1.779993"
                        y3="-3.082018"
                        z3="1.665685"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-0.162802"
                        y3="-2.894015"
                        z3="3.812046"/>
                  <atom elementType="O"
                        id="a62"
                        x3="3.150772"
                        y3="0.087313"
                        z3="-6.307968"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.770386"
                        y3="1.519432"
                        z3="-5.955939"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-1.771613"
                        y3="2.646877"
                        z3="-6.317404"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-2.351582"
                        y3="1.539291"
                        z3="-3.690871"/>
                  <atom elementType="O"
                        id="a66"
                        x3="4.634011"
                        y3="-2.520772"
                        z3="2.297278"/>
                  <atom elementType="O"
                        id="a67"
                        x3="3.333737"
                        y3="0.002530"
                        z3="1.554718"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-4.324277"
                        y3="2.834945"
                        z3="-2.194628"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-1.549276"
                        y3="2.909770"
                        z3="-1.581570"/>
                  <atom elementType="O"
                        id="a70"
                        x3="0.039618"
                        y3="5.323162"
                        z3="-2.394431"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-0.242072"
                        y3="5.327223"
                        z3="2.281760"/>
                  <atom elementType="O"
                        id="a72"
                        x3="-0.108653"
                        y3="2.860374"
                        z3="3.685129"/>
                  <atom elementType="O"
                        id="a73"
                        x3="-1.670392"
                        y3="2.855750"
                        z3="1.591607"/>
                  <atom elementType="O"
                        id="a74"
                        x3="-4.463521"
                        y3="2.682469"
                        z3="2.427428"/>
                  <atom elementType="O"
                        id="a75"
                        x3="-4.572758"
                        y3="-2.827148"
                        z3="2.385481"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.712621"
                        y3="2.444024"
                        z3="2.478952"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-0.006397"
                        y3="-0.031665"
                        z3="4.061581"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-1.474471"
                        y3="2.817213"
                        z3="6.202866"/>
                  <atom elementType="O"
                        id="a79"
                        x3="0.905650"
                        y3="1.406900"
                        z3="5.898251"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-1.641989"
                        y3="-2.688431"
                        z3="6.332970"/>
                  <atom elementType="O"
                        id="a81"
                        x3="3.221972"
                        y3="-0.088564"
                        z3="6.222155"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a1" order="S"/>
                  <bond atomRefs2="a18 a1" order="S"/>
                  <bond atomRefs2="a32 a1" order="S"/>
                  <bond atomRefs2="a3 a2" order="S"/>
                  <bond atomRefs2="a42 a2" order="S"/>
                  <bond atomRefs2="a43 a2" order="S"/>
                  <bond atomRefs2="a69 a2" order="S"/>
                  <bond atomRefs2="a70 a2" order="S"/>
                  <bond atomRefs2="a4 a3" order="S"/>
                  <bond atomRefs2="a5 a4" order="S"/>
                  <bond atomRefs2="a71 a4" order="S"/>
                  <bond atomRefs2="a72 a4" order="S"/>
                  <bond atomRefs2="a73 a4" order="S"/>
                  <bond atomRefs2="a6 a5" order="S"/>
                  <bond atomRefs2="a7 a6" order="S"/>
                  <bond atomRefs2="a33 a6" order="S"/>
                  <bond atomRefs2="a67 a6" order="S"/>
                  <bond atomRefs2="a76 a6" order="S"/>
                  <bond atomRefs2="a8 a7" order="S"/>
                  <bond atomRefs2="a9 a8" order="S"/>
                  <bond atomRefs2="a21 a8" order="S"/>
                  <bond atomRefs2="a77 a8" order="S"/>
                  <bond atomRefs2="a79 a8" order="S"/>
                  <bond atomRefs2="a81 a8" order="S"/>
                  <bond atomRefs2="a10 a9" order="S"/>
                  <bond atomRefs2="a11 a10" order="S"/>
                  <bond atomRefs2="a17 a10" order="S"/>
                  <bond atomRefs2="a61 a10" order="S"/>
                  <bond atomRefs2="a77 a10" order="S"/>
                  <bond atomRefs2="a80 a10" order="S"/>
                  <bond atomRefs2="a12 a11" order="S"/>
                  <bond atomRefs2="a13 a12" order="S"/>
                  <bond atomRefs2="a72 a12" order="S"/>
                  <bond atomRefs2="a77 a12" order="S"/>
                  <bond atomRefs2="a78 a12" order="S"/>
                  <bond atomRefs2="a79 a12" order="S"/>
                  <bond atomRefs2="a14 a13" order="S"/>
                  <bond atomRefs2="a15 a14" order="S"/>
                  <bond atomRefs2="a29 a14" order="S"/>
                  <bond atomRefs2="a73 a14" order="S"/>
                  <bond atomRefs2="a74 a14" order="S"/>
                  <bond atomRefs2="a16 a15" order="S"/>
                  <bond atomRefs2="a17 a16" order="S"/>
                  <bond atomRefs2="a31 a16" order="S"/>
                  <bond atomRefs2="a49 a16" order="S"/>
                  <bond atomRefs2="a60 a16" order="S"/>
                  <bond atomRefs2="a75 a16" order="S"/>
                  <bond atomRefs2="a19 a18" order="S"/>
                  <bond atomRefs2="a22 a18" order="S"/>
                  <bond atomRefs2="a27 a18" order="S"/>
                  <bond atomRefs2="a30 a18" order="S"/>
                  <bond atomRefs2="a31 a18" order="S"/>
                  <bond atomRefs2="a20 a19" order="S"/>
                  <bond atomRefs2="a52 a19" order="S"/>
                  <bond atomRefs2="a21 a20" order="S"/>
                  <bond atomRefs2="a26 a20" order="S"/>
                  <bond atomRefs2="a53 a20" order="S"/>
                  <bond atomRefs2="a66 a20" order="S"/>
                  <bond atomRefs2="a67 a20" order="S"/>
                  <bond atomRefs2="a25 a22" order="S"/>
                  <bond atomRefs2="a24 a23" order="S"/>
                  <bond atomRefs2="a46 a23" order="S"/>
                  <bond atomRefs2="a47 a23" order="S"/>
                  <bond atomRefs2="a50 a23" order="S"/>
                  <bond atomRefs2="a51 a23" order="S"/>
                  <bond atomRefs2="a25 a24" order="S"/>
                  <bond atomRefs2="a26 a25" order="S"/>
                  <bond atomRefs2="a35 a25" order="S"/>
                  <bond atomRefs2="a44 a25" order="S"/>
                  <bond atomRefs2="a45 a25" order="S"/>
                  <bond atomRefs2="a28 a27" order="S"/>
                  <bond atomRefs2="a29 a28" order="S"/>
                  <bond atomRefs2="a56 a28" order="S"/>
                  <bond atomRefs2="a65 a28" order="S"/>
                  <bond atomRefs2="a68 a28" order="S"/>
                  <bond atomRefs2="a69 a28" order="S"/>
                  <bond atomRefs2="a33 a32" order="S"/>
                  <bond atomRefs2="a34 a32" order="S"/>
                  <bond atomRefs2="a35 a32" order="S"/>
                  <bond atomRefs2="a36 a32" order="S"/>
                  <bond atomRefs2="a43 a32" order="S"/>
                  <bond atomRefs2="a37 a36" order="S"/>
                  <bond atomRefs2="a38 a37" order="S"/>
                  <bond atomRefs2="a45 a37" order="S"/>
                  <bond atomRefs2="a58 a37" order="S"/>
                  <bond atomRefs2="a62 a37" order="S"/>
                  <bond atomRefs2="a63 a37" order="S"/>
                  <bond atomRefs2="a39 a38" order="S"/>
                  <bond atomRefs2="a40 a39" order="S"/>
                  <bond atomRefs2="a50 a39" order="S"/>
                  <bond atomRefs2="a55 a39" order="S"/>
                  <bond atomRefs2="a57 a39" order="S"/>
                  <bond atomRefs2="a58 a39" order="S"/>
                  <bond atomRefs2="a41 a40" order="S"/>
                  <bond atomRefs2="a42 a41" order="S"/>
                  <bond atomRefs2="a58 a41" order="S"/>
                  <bond atomRefs2="a63 a41" order="S"/>
                  <bond atomRefs2="a64 a41" order="S"/>
                  <bond atomRefs2="a65 a41" order="S"/>
                  <bond atomRefs2="a48 a47" order="S"/>
                  <bond atomRefs2="a49 a48" order="S"/>
                  <bond atomRefs2="a54 a48" order="S"/>
                  <bond atomRefs2="a55 a48" order="S"/>
                  <bond atomRefs2="a56 a48" order="S"/>
                  <bond atomRefs2="a52 a51" order="S"/>
                  <bond atomRefs2="a53 a52" order="S"/>
                  <bond atomRefs2="a59 a52" order="S"/>
                  <bond atomRefs2="a60 a52" order="S"/>
                  <bond atomRefs2="a61 a52" order="S"/>
               </bondArray>
               <formula concise="O62W19"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">4486.752376</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/62O.19W">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;5;7;9;11;13;15;17;19;21;22;24;26;27;29;30;31;33;34;35;36;38;40;42;43;44;45;46;47;49;50;51;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;2;4;6;8;10;12;14;16;18;20;23;25;28;32;37;39;41;48;52/rA:81OWOWOWOWOWOWOWOWOWOWOOWOWOOWOO1OWOO1OOWOWOWOOO1OO1OWOOOWOO1OOO1O3O1OOO1OO1OO1OO1OO1O1OOO1O1O1O3O1OO1O1/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s10s16;;s18;;s8s20;s18;;s23;s22s24;s20s25;s18;;s14s28;s18;s16s18;s1;s6s32;s32;s25s32;s32;s36;s37;s38;s39;s40;s2s41;s2s32;s25;s25s37;s23;s23;s27s47;s16s48;s23s39;s23;s19s51;s20s52;s48;s39s48;s28s48;s39;s37s39s41;s52;s16s52;s10s52;s37;s37s41;s41;s28s41;s20;s6s20;s28;s2s28;s2;s4;s4s12;s4s14;s14;s16;s6;s8s10s12;s12;s8s12;s10;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</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">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="parameters">
                  <scalar dictRef="cc:method" id="method">DFT</scalar>
                  <list cmlx:templateRef="scf" endLine="677" startLine="676"/>
                  <list cmlx:templateRef="spin" endLine="681" startLine="679">
                     <scalar dataType="xsd:string" dictRef="cc:spinMolecule">Restricted</scalar>
                     <scalar dataType="xsd:string" dictRef="cc:spinFragments">Restricted</scalar>
                  </list>
                  <list cmlx:templateRef="other" endLine="689" startLine="683">
                     <scalar dataType="xsd:string" dictRef="a:densityMode">Point Charge Nuclei</scalar>
                     <scalar dataType="xsd:string" dictRef="a:coretreat">Frozen Orbital(s)</scalar>
                  </list>
               </module>
            </module>
            <module cmlx:templateRef="input.file" dictRef="cc:inputFile">
               <scalar dataType="xsd:string" dictRef="cc:inputLine">Task GeometryOptimization</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">System</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Atoms</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.069743994477548 1.812147740770085 -1.764526393891133 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.247014565463366 3.544092558925729 -2.174882632975928 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.3021657377780776 3.916453385670517 -0.03537595800977118 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.02477204213230432 3.662842372690858 1.745952937239129 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.914645422749997 3.328527653086009 2.076786418004935 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.126051521004653 1.815072601391076 2.024091913603805 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.511433177480181 1.282378480618089 3.703692742677637 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.864118202163678 -0.165089672259035 5.050764553018604 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.8252890067791901 -1.467376326688447 5.940204359052451 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.110406858150711 -1.546819332339691 5.053187406734828 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.642948671187977 0.05626239765599319 5.942933739562712 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.7798505863687593 1.705245135384445 4.977268524878291 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.357092467826495 1.477425582122271 3.743569787322701 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.145350751510624 1.57413273396782 2.032482726502843 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.123495467817326 -0.06767690743113444 2.231235853485754 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.222503300709689 -1.799290441504817 1.831820956609768 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.481186536883092 -1.630578141993115 3.811090311427734 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.2297374978276546 -0.3873188022412211 0.1684942880286563 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.6202735562824573 -1.61502682443879 1.412160058210003 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.015096142492101 -1.954768909899854 1.86667039771013 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.541575744098743 -1.325626072873931 3.703582260618835 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.7536176797655838 -1.398625956087632 -1.193435317659415 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.1194975387548391 -3.579626697096539 -1.765918855163339 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 1.995931954796756 -3.4538140883139 -2.12934621320458 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 2.905836864972621 -1.681163364328479 -1.975091414931605 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.106541511070202 -2.145493653788395 0.03108331676476897 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.612558932553383 -0.06596747471801337 -1.190904806348788 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.00786947161646 1.726497345764623 -1.786519225202998 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.405068612403118 1.627035943363138 0.08806835013777634 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.5899599689130417 1.074664194140452 0.6808257249389912 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.72164793981004 -0.2892632554941907 1.417502860766184 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 3.041770669461402 2.101114260086382 -1.813643926361269 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.275410707510026 2.281245701741614 0.04932067107198833 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.677935805166376 2.612440210039093 -2.359178061267803 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.270205465506279 0.1235842608664466 -1.570924669857607 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.719363989211598 1.432048268452363 -3.854463300699078 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 1.916587392185735 0.2572899638203768 -5.01140383278628 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.8827051304743628 -1.415322753703125 -5.948621583422603 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -0.7263556786420275 -1.698890114039891 -5.038531533005092 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.655191783335535 -0.06262512838249647 -5.924555476171983 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -1.064692026718236 1.549133219579302 -5.084698008949846 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1732653294822798 3.021182247903912 -3.909588355437016 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.256891729050594 3.843126513928701 -2.255975079851892 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.527467559996993 -2.313690929178486 -2.297639233448851 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.447726771237299 -1.214152874030188 -3.734320306621425 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.173967283109389 -5.245685713546318 -2.30477530106927 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.666662413292205 -2.862836742493621 -1.497946423187015 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W -3.057256611478847 -1.626453007128213 -2.037177523464377 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -3.582868187973682 -1.761206054979548 0.0311632162715367 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1221413492077099 -2.837420354495307 -3.682427468435341 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.2640953647416137 -3.940709293994729 0.06870686532113536 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        W 0.05405830416325564 -3.578021541532729 2.086423564807399 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 2.043194063614009 -3.575246418797303 2.219260592691426 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.421406468427785 -2.701848712310561 -2.408074235640386 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.341946573402085 -1.476689936678768 -3.722339304595412 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.005767028853931 0.06147899841340743 -2.125051017581557 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.49720504615967 -2.827500883648543 -6.202691110619713 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.0469413076743988 0.05893731724594695 -4.092827208017394 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1228491902974787 -5.313842066899057 2.448638850204374 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.779804041297799 -3.081974795657703 1.665475364449074 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1624987649252644 -2.893712381276726 3.811840764179383 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.150999860501818 0.08754295719858857 -6.307404026305816 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.7702085772346642 1.519280623599131 -5.955883555487155 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.771749498022959 2.647181310812085 -6.317184106717252 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -2.351855961025692 1.53947255167541 -3.690929045318815 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.633997773324557 -2.520248056706053 2.297341607218069 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.333712435372549 0.002907512665006199 1.55489011726401 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.32436254540378 2.835053548552704 -2.194462183212665 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.549273370644722 2.909365940149391 -1.581166331258119 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.03960296455907326 5.322872873083544 -2.394297544369207 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.2424658238871524 5.327634601821524 2.281627284934495 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.1084600352474665 2.860727419252044 3.685501218941104 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.670053928454474 2.855622487821111 1.592016368457075 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.46317504186421 2.682456419208756 2.427074349248982 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -4.572468177292879 -2.827142144067943 2.385261563580376 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 4.71323327660514 2.444070751269996 2.479430023686183 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -0.00640124118945136 -0.03139677718867237 4.061585623077052 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.474741795534012 2.817198538740029 6.203095250451918 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 0.9055505245281424 1.407083515639666 5.898355183929574 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O -1.642341464268487 -2.688417735134874 6.332647614830226 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        O 3.221921450749109 -0.08815380176740008 6.222021988635514 </scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    Charge -10.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    BondOrders</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 2 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 18 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         1 32 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 3 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 42 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         2 70 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         3 4 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 5 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 71 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         4 73 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         5 6 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 7 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         6 76 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         7 8 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 9 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         8 81 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         9 10 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 11 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 61 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         10 80 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         11 12 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 13 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 72 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 77 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 78 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         12 79 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         13 14 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         14 15 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         14 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         14 73 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         14 74 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         15 16 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         16 17 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         16 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         16 49 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         16 60 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         16 75 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         18 19 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         18 22 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         18 27 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         18 30 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         18 31 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         19 20 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         19 52 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         20 21 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         20 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         20 53 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         20 66 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         20 67 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         22 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         23 24 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         23 46 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         23 47 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         23 50 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         23 51 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         24 25 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         25 26 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         25 35 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         25 44 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         25 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         27 28 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         28 29 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         28 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         28 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         28 68 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         28 69 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 33 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 34 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 35 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 36 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         32 43 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         36 37 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         37 38 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         37 45 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         37 58 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         37 62 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         37 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         38 39 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 40 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 50 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 55 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 57 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         39 58 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         40 41 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 42 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 58 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 63 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 64 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         41 65 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         47 48 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         48 49 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         48 54 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         48 55 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         48 56 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         51 52 1.0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">         52 53 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 61 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">    XC</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">        Hybrid PBE0</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">    End</scalar>
               <scalar dataType="xsd:string" dictRef="cc:inputLine">EndEngine</scalar>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module cmlx:templateRef="adf">
               <module cmlx:templateRef="adf.runtype">
                  <module cmlx:templateRef="symmetry">
                     <scalar dataType="xsd:string" dictRef="a:symmetry">NOSYM</scalar>
                     <scalar dataType="xsd:integer" dictRef="a:charge">-10</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="scf">
                  <scalar dataType="xsd:string" dictRef="cc:scfConverged">SCF CONVERGED</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <molecule id="finalization">
               <atomArray>
                  <atom elementType="O"
                        id="a1"
                        x3="1.069784"
                        y3="1.812402"
                        z3="-1.764696"/>
                  <atom elementType="W"
                        id="a2"
                        x3="0.247038"
                        y3="3.544374"
                        z3="-2.175245"/>
                  <atom elementType="O"
                        id="a3"
                        x3="0.302278"
                        y3="3.916701"
                        z3="-0.035536"/>
                  <atom elementType="W"
                        id="a4"
                        x3="0.024734"
                        y3="3.662487"
                        z3="1.745720"/>
                  <atom elementType="O"
                        id="a5"
                        x3="1.914501"
                        y3="3.328268"
                        z3="2.076653"/>
                  <atom elementType="W"
                        id="a6"
                        x3="3.125545"
                        y3="1.814751"
                        z3="2.023630"/>
                  <atom elementType="O"
                        id="a7"
                        x3="2.511034"
                        y3="1.282217"
                        z3="3.703400"/>
                  <atom elementType="W"
                        id="a8"
                        x3="1.864127"
                        y3="-0.165350"
                        z3="5.050847"/>
                  <atom elementType="O"
                        id="a9"
                        x3="0.825375"
                        y3="-1.467701"
                        z3="5.940075"/>
                  <atom elementType="W"
                        id="a10"
                        x3="-1.110522"
                        y3="-1.546920"
                        z3="5.053219"/>
                  <atom elementType="O"
                        id="a11"
                        x3="-1.642570"
                        y3="0.056100"
                        z3="5.943261"/>
                  <atom elementType="W"
                        id="a12"
                        x3="-0.779812"
                        y3="1.705078"
                        z3="4.977069"/>
                  <atom elementType="O"
                        id="a13"
                        x3="-2.357209"
                        y3="1.476943"
                        z3="3.743428"/>
                  <atom elementType="W"
                        id="a14"
                        x3="-3.145730"
                        y3="1.574157"
                        z3="2.032507"/>
                  <atom elementType="O"
                        id="a15"
                        x3="-4.123800"
                        y3="-0.067622"
                        z3="2.231447"/>
                  <atom elementType="W"
                        id="a16"
                        x3="-3.222728"
                        y3="-1.799402"
                        z3="1.831929"/>
                  <atom elementType="O"
                        id="a17"
                        x3="-2.481388"
                        y3="-1.630657"
                        z3="3.811293"/>
                  <atom elementType="W"
                        id="a18"
                        x3="-0.229417"
                        y3="-0.386940"
                        z3="0.168868"/>
                  <atom elementType="O"
                        id="a19"
                        x3="0.620147"
                        y3="-1.614877"
                        z3="1.412311"/>
                  <atom elementType="W"
                        id="a20"
                        x3="3.015169"
                        y3="-1.955090"
                        z3="1.866672"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.541513"
                        y3="-1.325879"
                        z3="3.703664"/>
                  <atom elementType="O"
                        id="a22"
                        x3="0.753652"
                        y3="-1.398261"
                        z3="-1.193222"/>
                  <atom elementType="W"
                        id="a23"
                        x3="0.119705"
                        y3="-3.579199"
                        z3="-1.765812"/>
                  <atom elementType="O"
                        id="a24"
                        x3="1.996194"
                        y3="-3.453394"
                        z3="-2.128922"/>
                  <atom elementType="W"
                        id="a25"
                        x3="2.906106"
                        y3="-1.680779"
                        z3="-1.974796"/>
                  <atom elementType="O"
                        id="a26"
                        x3="3.106587"
                        y3="-2.145645"
                        z3="0.031043"/>
                  <atom elementType="O"
                        id="a27"
                        x3="-1.612552"
                        y3="-0.065660"
                        z3="-1.190632"/>
                  <atom elementType="W"
                        id="a28"
                        x3="-3.007705"
                        y3="1.726529"
                        z3="-1.786519"/>
                  <atom elementType="O"
                        id="a29"
                        x3="-3.405258"
                        y3="1.627219"
                        z3="0.088130"/>
                  <atom elementType="O"
                        id="a30"
                        x3="0.589606"
                        y3="1.075243"
                        z3="0.682391"/>
                  <atom elementType="O"
                        id="a31"
                        x3="-1.722047"
                        y3="-0.289394"
                        z3="1.417609"/>
                  <atom elementType="W"
                        id="a32"
                        x3="3.041866"
                        y3="2.101368"
                        z3="-1.814038"/>
                  <atom elementType="O"
                        id="a33"
                        x3="3.275363"
                        y3="2.281342"
                        z3="0.048976"/>
                  <atom elementType="O"
                        id="a34"
                        x3="4.678015"
                        y3="2.612676"
                        z3="-2.359611"/>
                  <atom elementType="O"
                        id="a35"
                        x3="3.270692"
                        y3="0.124016"
                        z3="-1.570866"/>
                  <atom elementType="O"
                        id="a36"
                        x3="2.719785"
                        y3="1.431951"
                        z3="-3.855002"/>
                  <atom elementType="W"
                        id="a37"
                        x3="1.916747"
                        y3="0.257119"
                        z3="-5.011654"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.882393"
                        y3="-1.415462"
                        z3="-5.948935"/>
                  <atom elementType="W"
                        id="a39"
                        x3="-0.726445"
                        y3="-1.698993"
                        z3="-5.038486"/>
                  <atom elementType="O"
                        id="a40"
                        x3="-1.655041"
                        y3="-0.062709"
                        z3="-5.924732"/>
                  <atom elementType="W"
                        id="a41"
                        x3="-1.064484"
                        y3="1.549085"
                        z3="-5.084735"/>
                  <atom elementType="O"
                        id="a42"
                        x3="-0.173193"
                        y3="3.021546"
                        z3="-3.910037"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.256961"
                        y3="3.843489"
                        z3="-2.255892"/>
                  <atom elementType="O"
                        id="a44"
                        x3="4.527668"
                        y3="-2.313360"
                        z3="-2.297313"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.448167"
                        y3="-1.214325"
                        z3="-3.734452"/>
                  <atom elementType="O"
                        id="a46"
                        x3="-0.173263"
                        y3="-5.245396"
                        z3="-2.304512"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-1.666447"
                        y3="-2.862574"
                        z3="-1.497529"/>
                  <atom elementType="W"
                        id="a48"
                        x3="-3.057141"
                        y3="-1.626361"
                        z3="-2.036960"/>
                  <atom elementType="O"
                        id="a49"
                        x3="-3.583131"
                        y3="-1.761396"
                        z3="0.031386"/>
                  <atom elementType="O"
                        id="a50"
                        x3="-0.121983"
                        y3="-2.837290"
                        z3="-3.682277"/>
                  <atom elementType="O"
                        id="a51"
                        x3="0.264066"
                        y3="-3.940037"
                        z3="0.068939"/>
                  <atom elementType="W"
                        id="a52"
                        x3="0.053854"
                        y3="-3.577979"
                        z3="2.086542"/>
                  <atom elementType="O"
                        id="a53"
                        x3="2.043066"
                        y3="-3.575308"
                        z3="2.219182"/>
                  <atom elementType="O"
                        id="a54"
                        x3="-4.421192"
                        y3="-2.701866"
                        z3="-2.407763"/>
                  <atom elementType="O"
                        id="a55"
                        x3="-2.342148"
                        y3="-1.476655"
                        z3="-3.722139"/>
                  <atom elementType="O"
                        id="a56"
                        x3="-4.005676"
                        y3="0.061705"
                        z3="-2.125104"/>
                  <atom elementType="O"
                        id="a57"
                        x3="-1.497464"
                        y3="-2.827861"
                        z3="-6.202215"/>
                  <atom elementType="O"
                        id="a58"
                        x3="0.047085"
                        y3="0.058945"
                        z3="-4.092779"/>
                  <atom elementType="O"
                        id="a59"
                        x3="-0.123241"
                        y3="-5.313910"
                        z3="2.448090"/>
                  <atom elementType="O"
                        id="a60"
                        x3="-1.779993"
                        y3="-3.082018"
                        z3="1.665685"/>
                  <atom elementType="O"
                        id="a61"
                        x3="-0.162802"
                        y3="-2.894015"
                        z3="3.812046"/>
                  <atom elementType="O"
                        id="a62"
                        x3="3.150772"
                        y3="0.087313"
                        z3="-6.307968"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.770386"
                        y3="1.519432"
                        z3="-5.955939"/>
                  <atom elementType="O"
                        id="a64"
                        x3="-1.771613"
                        y3="2.646877"
                        z3="-6.317404"/>
                  <atom elementType="O"
                        id="a65"
                        x3="-2.351582"
                        y3="1.539291"
                        z3="-3.690871"/>
                  <atom elementType="O"
                        id="a66"
                        x3="4.634011"
                        y3="-2.520772"
                        z3="2.297278"/>
                  <atom elementType="O"
                        id="a67"
                        x3="3.333737"
                        y3="0.002530"
                        z3="1.554718"/>
                  <atom elementType="O"
                        id="a68"
                        x3="-4.324277"
                        y3="2.834945"
                        z3="-2.194628"/>
                  <atom elementType="O"
                        id="a69"
                        x3="-1.549276"
                        y3="2.909770"
                        z3="-1.581570"/>
                  <atom elementType="O"
                        id="a70"
                        x3="0.039618"
                        y3="5.323162"
                        z3="-2.394431"/>
                  <atom elementType="O"
                        id="a71"
                        x3="-0.242072"
                        y3="5.327223"
                        z3="2.281760"/>
                  <atom elementType="O"
                        id="a72"
                        x3="-0.108653"
                        y3="2.860374"
                        z3="3.685129"/>
                  <atom elementType="O"
                        id="a73"
                        x3="-1.670392"
                        y3="2.855750"
                        z3="1.591607"/>
                  <atom elementType="O"
                        id="a74"
                        x3="-4.463521"
                        y3="2.682469"
                        z3="2.427428"/>
                  <atom elementType="O"
                        id="a75"
                        x3="-4.572758"
                        y3="-2.827148"
                        z3="2.385481"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.712621"
                        y3="2.444024"
                        z3="2.478952"/>
                  <atom elementType="O"
                        id="a77"
                        x3="-0.006397"
                        y3="-0.031665"
                        z3="4.061581"/>
                  <atom elementType="O"
                        id="a78"
                        x3="-1.474471"
                        y3="2.817213"
                        z3="6.202866"/>
                  <atom elementType="O"
                        id="a79"
                        x3="0.905650"
                        y3="1.406900"
                        z3="5.898251"/>
                  <atom elementType="O"
                        id="a80"
                        x3="-1.641989"
                        y3="-2.688431"
                        z3="6.332970"/>
                  <atom elementType="O"
                        id="a81"
                        x3="3.221972"
                        y3="-0.088564"
                        z3="6.222155"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a1" order="S"/>
                  <bond atomRefs2="a18 a1" order="S"/>
                  <bond atomRefs2="a32 a1" order="S"/>
                  <bond atomRefs2="a3 a2" order="S"/>
                  <bond atomRefs2="a42 a2" order="S"/>
                  <bond atomRefs2="a43 a2" order="S"/>
                  <bond atomRefs2="a69 a2" order="S"/>
                  <bond atomRefs2="a70 a2" order="S"/>
                  <bond atomRefs2="a4 a3" order="S"/>
                  <bond atomRefs2="a5 a4" order="S"/>
                  <bond atomRefs2="a71 a4" order="S"/>
                  <bond atomRefs2="a72 a4" order="S"/>
                  <bond atomRefs2="a73 a4" order="S"/>
                  <bond atomRefs2="a6 a5" order="S"/>
                  <bond atomRefs2="a7 a6" order="S"/>
                  <bond atomRefs2="a33 a6" order="S"/>
                  <bond atomRefs2="a67 a6" order="S"/>
                  <bond atomRefs2="a76 a6" order="S"/>
                  <bond atomRefs2="a8 a7" order="S"/>
                  <bond atomRefs2="a9 a8" order="S"/>
                  <bond atomRefs2="a21 a8" order="S"/>
                  <bond atomRefs2="a77 a8" order="S"/>
                  <bond atomRefs2="a79 a8" order="S"/>
                  <bond atomRefs2="a81 a8" order="S"/>
                  <bond atomRefs2="a10 a9" order="S"/>
                  <bond atomRefs2="a11 a10" order="S"/>
                  <bond atomRefs2="a17 a10" order="S"/>
                  <bond atomRefs2="a61 a10" order="S"/>
                  <bond atomRefs2="a77 a10" order="S"/>
                  <bond atomRefs2="a80 a10" order="S"/>
                  <bond atomRefs2="a12 a11" order="S"/>
                  <bond atomRefs2="a13 a12" order="S"/>
                  <bond atomRefs2="a72 a12" order="S"/>
                  <bond atomRefs2="a77 a12" order="S"/>
                  <bond atomRefs2="a78 a12" order="S"/>
                  <bond atomRefs2="a79 a12" order="S"/>
                  <bond atomRefs2="a14 a13" order="S"/>
                  <bond atomRefs2="a15 a14" order="S"/>
                  <bond atomRefs2="a29 a14" order="S"/>
                  <bond atomRefs2="a73 a14" order="S"/>
                  <bond atomRefs2="a74 a14" order="S"/>
                  <bond atomRefs2="a16 a15" order="S"/>
                  <bond atomRefs2="a17 a16" order="S"/>
                  <bond atomRefs2="a31 a16" order="S"/>
                  <bond atomRefs2="a49 a16" order="S"/>
                  <bond atomRefs2="a60 a16" order="S"/>
                  <bond atomRefs2="a75 a16" order="S"/>
                  <bond atomRefs2="a19 a18" order="S"/>
                  <bond atomRefs2="a22 a18" order="S"/>
                  <bond atomRefs2="a27 a18" order="S"/>
                  <bond atomRefs2="a30 a18" order="S"/>
                  <bond atomRefs2="a31 a18" order="S"/>
                  <bond atomRefs2="a20 a19" order="S"/>
                  <bond atomRefs2="a52 a19" order="S"/>
                  <bond atomRefs2="a21 a20" order="S"/>
                  <bond atomRefs2="a26 a20" order="S"/>
                  <bond atomRefs2="a53 a20" order="S"/>
                  <bond atomRefs2="a66 a20" order="S"/>
                  <bond atomRefs2="a67 a20" order="S"/>
                  <bond atomRefs2="a25 a22" order="S"/>
                  <bond atomRefs2="a24 a23" order="S"/>
                  <bond atomRefs2="a46 a23" order="S"/>
                  <bond atomRefs2="a47 a23" order="S"/>
                  <bond atomRefs2="a50 a23" order="S"/>
                  <bond atomRefs2="a51 a23" order="S"/>
                  <bond atomRefs2="a25 a24" order="S"/>
                  <bond atomRefs2="a26 a25" order="S"/>
                  <bond atomRefs2="a35 a25" order="S"/>
                  <bond atomRefs2="a44 a25" order="S"/>
                  <bond atomRefs2="a45 a25" order="S"/>
                  <bond atomRefs2="a28 a27" order="S"/>
                  <bond atomRefs2="a29 a28" order="S"/>
                  <bond atomRefs2="a56 a28" order="S"/>
                  <bond atomRefs2="a65 a28" order="S"/>
                  <bond atomRefs2="a68 a28" order="S"/>
                  <bond atomRefs2="a69 a28" order="S"/>
                  <bond atomRefs2="a33 a32" order="S"/>
                  <bond atomRefs2="a34 a32" order="S"/>
                  <bond atomRefs2="a35 a32" order="S"/>
                  <bond atomRefs2="a36 a32" order="S"/>
                  <bond atomRefs2="a43 a32" order="S"/>
                  <bond atomRefs2="a37 a36" order="S"/>
                  <bond atomRefs2="a38 a37" order="S"/>
                  <bond atomRefs2="a45 a37" order="S"/>
                  <bond atomRefs2="a58 a37" order="S"/>
                  <bond atomRefs2="a62 a37" order="S"/>
                  <bond atomRefs2="a63 a37" order="S"/>
                  <bond atomRefs2="a39 a38" order="S"/>
                  <bond atomRefs2="a40 a39" order="S"/>
                  <bond atomRefs2="a50 a39" order="S"/>
                  <bond atomRefs2="a55 a39" order="S"/>
                  <bond atomRefs2="a57 a39" order="S"/>
                  <bond atomRefs2="a58 a39" order="S"/>
                  <bond atomRefs2="a41 a40" order="S"/>
                  <bond atomRefs2="a42 a41" order="S"/>
                  <bond atomRefs2="a58 a41" order="S"/>
                  <bond atomRefs2="a63 a41" order="S"/>
                  <bond atomRefs2="a64 a41" order="S"/>
                  <bond atomRefs2="a65 a41" order="S"/>
                  <bond atomRefs2="a48 a47" order="S"/>
                  <bond atomRefs2="a49 a48" order="S"/>
                  <bond atomRefs2="a54 a48" order="S"/>
                  <bond atomRefs2="a55 a48" order="S"/>
                  <bond atomRefs2="a56 a48" order="S"/>
                  <bond atomRefs2="a52 a51" order="S"/>
                  <bond atomRefs2="a53 a52" order="S"/>
                  <bond atomRefs2="a59 a52" order="S"/>
                  <bond atomRefs2="a60 a52" order="S"/>
                  <bond atomRefs2="a61 a52" order="S"/>
               </bondArray>
               <formula concise="O62W19"/>
               <property dictRef="cml:molmass">
                  <scalar units="nonsi:dalton">4486.752376</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/62O.19W">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;3;5;7;9;11;13;15;17;19;21;22;24;26;27;29;30;31;33;34;35;36;38;40;42;43;44;45;46;47;49;50;51;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;2;4;6;8;10;12;14;16;18;20;23;25;28;32;37;39;41;48;52/rA:81OWOWOWOWOWOWOWOWOWOWOOWOWOOWOO1OWOO1OOWOWOWOOO1OO1OWOOOWOO1OOO1O3O1OOO1OO1OO1OO1OO1O1OOO1O1O1O3O1OO1O1/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;s14;s15;s10s16;;s18;;s8s20;s18;;s23;s22s24;s20s25;s18;;s14s28;s18;s16s18;s1;s6s32;s32;s25s32;s32;s36;s37;s38;s39;s40;s2s41;s2s32;s25;s25s37;s23;s23;s27s47;s16s48;s23s39;s23;s19s51;s20s52;s48;s39s48;s28s48;s39;s37s39s41;s52;s16s52;s10s52;s37;s37s41;s41;s28s41;s20;s6s20;s28;s2s28;s2;s4;s4s12;s4s14;s14;s16;s6;s8s10s12;s12;s8s12;s10;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <propertyList>
               <property dataType="xsd:double" dictRef="cc:cputime">
                  <scalar>34440.53135100</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:systemtime">
                  <scalar>363.93303300</scalar>
               </property>
               <property dataType="xsd:double" dictRef="cc:elapsedtime">
                  <scalar>36278.98160791</scalar>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="atomic.charges" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="81">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</array>
                     <array dataType="xsd:string" dictRef="cc:elementType" size="81">O W O W O W O W O W O W O W O W O W O W O O W O W O O W O O O W O O O O W O W O W O O O O O O W O O O W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     <array dataType="xsd:double" dictRef="a:mdcm" size="81">-0.98681837 2.67199758 -0.94798444 2.65130348 -0.99611387 2.66062463 -0.98433254 2.65699310 -1.00195066 2.64780676 -1.01383060 2.65367000 -0.98566293 2.68554639 -0.98691329 2.67794906 -0.97635822 2.63667144 -1.05356286 2.67496686 -0.99552202 -1.05597797 2.67350114 -0.98775311 2.69094504 -0.97359102 -1.05976835 2.69192605 -0.99377966 -0.87218092 -1.05748724 2.68165705 -0.99094290 -0.94925547 -0.97513561 -0.96127592 2.64414580 -1.00070411 2.64697172 -1.00785693 2.65728027 -0.97705620 -1.00279044 -0.90082777 -0.97739930 -0.92240987 -1.00628283 2.67192768 -0.97014566 -0.98852500 -0.99306154 2.69310545 -0.98873640 -0.92070645 -0.96178242 -0.99018438 -0.97412745 -1.05910538 -0.92450444 -0.99273454 -0.97470718 -0.97650007 -1.01705666 -0.96838722 -0.99007238 -0.90872874 -0.98468249 -0.90071793 -0.97517882 -0.95566772 -0.92487591 -0.98273628 -0.98995349 -0.90168314 -0.93524956 -0.92055197 -1.06980972 -0.96929818 -1.01654238 -0.97219129 -0.96925929</array>
                     <array dataType="xsd:double" dictRef="a:mdcd" size="81">-0.63757009 2.02090971 -0.72166471 2.03393887 -0.79032553 2.04005947 -0.74015282 2.02378694 -0.85591289 2.02533507 -0.86554154 2.02109735 -0.73275995 2.04216223 -0.81702372 2.02867246 -0.74525793 1.97504175 -0.69570095 2.03799029 -0.73797116 -0.70095496 2.02783192 -0.81772790 2.04652679 -0.73145903 -0.70226751 2.04316946 -0.73055068 -0.64089368 -0.69673415 2.02996346 -0.74677264 -0.88193139 -0.70631603 -0.74304428 2.01966792 -0.85932041 2.02123248 -0.85518821 2.02860097 -0.75334736 -0.83963931 -0.82814328 -0.72695389 -0.84690906 -0.72475797 2.02929675 -0.74999724 -0.74132791 -0.75532531 2.03749676 -0.81900918 -0.84537102 -0.72595339 -0.81757954 -0.89907497 -0.60851332 -0.85131084 -0.73111606 -0.73694227 -0.90343066 -0.86030389 -0.89615197 -0.73494044 -0.83213466 -0.72065112 -0.82923941 -0.70633883 -0.89013740 -0.84768548 -0.74290226 -0.72346856 -0.82698049 -0.86015472 -0.84347996 -0.60824945 -0.89699628 -0.86115332 -0.89848473 -0.89558293</array>
                     <array dataType="xsd:double" dictRef="a:mdcq" size="81">-0.66016745 2.11254182 -0.77710183 2.15076853 -0.84161059 2.16122984 -0.80027299 2.11176098 -0.88100294 2.11299851 -0.89884149 2.11316124 -0.79900990 2.15254548 -0.84152909 2.13551887 -0.80716636 1.94688661 -0.72491229 2.14992515 -0.81668193 -0.73405249 2.13495603 -0.84329915 2.15721953 -0.79557647 -0.74105502 2.15301515 -0.80392623 -0.69332290 -0.73325754 2.12981318 -0.81391664 -0.84857698 -0.80701402 -0.80028677 2.10124519 -0.88687796 2.11311122 -0.88786036 2.12076963 -0.80821707 -0.86498273 -0.79290282 -0.78647606 -0.81889363 -0.81675655 2.13187354 -0.80908337 -0.81078169 -0.82087039 2.14543712 -0.84300953 -0.81386431 -0.78036687 -0.84517261 -0.87121082 -0.66062063 -0.81907651 -0.81962844 -0.79527857 -0.86727802 -0.89854154 -0.86124058 -0.80647923 -0.80068858 -0.81965599 -0.79618025 -0.79605287 -0.85658145 -0.81856455 -0.80684055 -0.81139435 -0.79529293 -0.82783527 -0.81136233 -0.65572288 -0.86343929 -0.89508581 -0.86796291 -0.86406628</array>
                  </list>
               </module>
               <module cmlx:templateRef="bonding.energy">
                  <module cmlx:templateRef="summary">
                     <scalar dataType="xsd:double" dictRef="cc:eener" units="nonsi:electronvolt">-617.866476</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:kinener"
                             units="nonsi:electronvolt">560.767862</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:coulombener"
                             units="nonsi:electronvolt">88.791252</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:xcener"
                             units="nonsi:electronvolt">-856.891376</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:dispener"
                             units="nonsi:electronvolt">0.000000</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:total" units="nonsi:electronvolt">-825.198738</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="81">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="81">O W O W O W O W O W O W O W O W O W O W O O W O W O O W O O O W O O O O W O W O W O O O O O O W O O O W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="81">-1.05848242 2.79036574 -0.99215005 2.75872540 -1.08127171 2.76897769 -1.01684510 2.74527569 -1.02274029 2.74240846 -1.03575608 2.74891712 -1.03086311 2.80455421 -1.06729223 2.82401035 -1.02620793 3.24809160 -1.18324257 2.78723260 -1.04888673 -1.17551572 2.80289571 -1.06949621 2.86330847 -1.02723991 -1.18143232 2.84417232 -1.05232501 -0.94449955 -1.18612779 2.78895317 -1.05951176 -0.93833727 -1.05271596 -1.00656246 2.73726601 -1.01578340 2.73677506 -1.03430933 2.73866222 -1.02997581 -1.03951670 -0.91596047 -1.03343113 -0.92813128 -1.07483662 2.82757395 -1.01485471 -1.03637565 -1.04193686 2.85058393 -1.06912586 -0.92960554 -1.00834584 -1.07250632 -0.96313031 -1.15195945 -0.92922301 -1.06261307 -1.02016379 -0.96306715 -1.04681295 -0.95854933 -1.04418394 -0.92034155 -1.04750689 -0.91451623 -1.05204604 -0.94352102 -0.93224644 -1.02864302 -1.05615349 -0.91627787 -0.93459064 -0.93113490 -1.16422855 -0.95978248 -1.04634572 -0.96044761 -0.95906650</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="dipole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:dipole" size="3">-0.36504799 -0.42150547 0.94592885</array>
                  <scalar dataType="xsd:double" dictRef="x:dipole">1.035591</scalar>
               </module>
               <module cmlx:templateRef="quadrupole.moment" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">178.80615020 -19.79557416 14.30174960 157.94106489 23.43530200 -336.74721510</array>
               </module>
               <module cmlx:templateRef="orbital.energies.zora" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="energies" dictRef="energies">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1681">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</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1681">2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 2.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 0.00000000 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="1681"
                            units="nonsi:electronvolt">-63.076282 -63.056512 -62.995578 -62.928384 -62.924474 -62.907326 -62.844769 -62.810825 -62.802934 -62.761399 -62.751024 -62.745539 -62.699270 -62.678866 -62.540066 -62.536514 -62.531779 -62.471042 -62.451424 -27.184710 -27.089537 -27.057755 -27.036244 -27.011728 -26.975891 -26.969919 -26.966589 -26.942118 -26.923646 -26.913422 -26.879785 -26.875276 -26.865663 -26.849104 -26.840586 -26.824730 -26.811354 -26.805845 -26.803711 -26.803490 -26.770891 -26.770404 -26.753021 -26.750545 -26.749598 -26.732809 -26.727689 -26.722383 -26.705161 -26.695760 -26.690997 -26.687632 -26.671845 -26.667510 -26.658672 -26.639021 -26.624874 -26.621894 -26.610678 -26.606621 -26.572285 -26.552959 -26.548817 -26.506174 -26.496468 -26.478163 -26.464467 -26.434537 -26.423417 -26.422086 -26.419980 -26.413291 -26.329599 -26.321542 -26.287962 -26.271260 -6.121429 -5.869709 -5.812708 -5.773515 -5.717123 -5.573678 -5.525614 -5.498490 -5.402319 -5.392390 -5.304462 -5.194098 -5.177918 -5.122052 -5.095591 -5.053024 -4.978141 -4.966142 -4.949722 -4.889188 -4.856555 -4.831435 -4.786364 -4.759792 -4.749567 -4.732215 -4.693828 -4.682513 -4.668074 -4.635683 -4.618497 -4.581268 -4.564620 -4.550654 -4.540868 -4.509382 -4.465938 -4.433229 -4.398657 -4.361922 -4.349066 -4.330299 -4.320749 -4.298922 -4.272844 -4.245647 -4.238065 -4.184178 -4.182531 -4.139031 -4.112875 -4.084397 -4.059021 -4.013720 -4.006372 -3.984553 -3.708059 -3.703305 -3.661908 -3.622082 -3.492756 -2.989399 6.443830 6.600714 6.786515 6.831196 6.890414 6.906571 7.111953 7.179286 7.285375 7.294930 7.464195 7.506098 7.591067 7.646496 7.719269 7.772452 7.803992 7.856149 8.038783 8.097108 8.119692 8.169570 8.194943 8.216277 8.255271 8.269457 8.306538 8.336717 8.382250 8.420281 8.446989 8.489585 8.546885 8.578916 8.619303 8.671332 8.710430 8.763748 8.787122 8.806225 8.859657 8.898664 8.937713 8.960294 8.986662 9.029917 9.050026 9.086969 9.142611 9.177213 9.257600 9.271826 9.343581 9.358442 9.392491 9.414085 9.435924 9.452789 9.473171 9.482300 9.564279 9.589823 9.607843 9.627519 9.663565 9.694825 9.726254 9.783377 9.795995 9.817959 9.847087 9.884279 9.911354 9.932405 9.954293 9.993400 10.018373 10.041824 10.060866 10.127186 10.152413 10.166251 10.183671 10.230184 10.261382 10.291136 10.363224 10.387865 10.439806 10.445220 10.473545 10.490348 10.520305 10.542062 10.556365 10.582572 10.608661 10.652182 10.686797 10.692522 10.697005 10.732974 10.796587 10.843160 10.860245 10.954711 11.005531 11.076095 11.104257 11.124484 11.155365 11.185036 11.222518 11.274044 11.347554 11.363007 11.405218 11.476805 11.520402 11.570207 11.596379 11.633413 11.665115 11.678360 11.719281 11.745160 11.767600 11.800026 11.839734 11.883668 11.920806 11.938327 11.960546 11.981240 12.004815 12.029737 12.088473 12.122808 12.142707 12.198763 12.210048 12.245757 12.270828 12.279998 12.319226 12.351167 12.366381 12.372215 12.424391 12.443632 12.465824 12.500200 12.522382 12.549259 12.558716 12.595454 12.607065 12.636440 12.639853 12.659177 12.693752 12.742922 12.751517 12.757674 12.784231 12.788552 12.808600 12.828869 12.859140 12.876126 12.895935 12.896234 12.925176 12.942997 12.997934 13.011656 13.037223 13.074926 13.103738 13.174195 13.262738 13.286223 13.403130 13.516467 13.623341 13.659782 17.563631 17.780866 17.904492 18.408923 18.503315 18.585273 18.649954 18.673101 18.684621 18.740551 18.785387 18.826779 18.856918 18.911908 18.941438 18.983054 19.014066 19.036372 19.057654 19.101283 19.152272 19.214223 19.236413 19.301754 19.333439 19.341424 19.364784 19.433161 19.438515 19.520477 19.538235 19.587709 19.614506 19.656832 19.790636 19.816314 19.851429 19.968900 19.995251 20.023359 20.047491 20.060894 20.112036 20.149189 20.158538 20.185170 20.267453 20.312974 20.354161 20.394059 20.418016 20.437445 20.441360 20.499870 20.530708 20.572878 20.621948 20.649618 20.689936 20.772414 20.774618 20.852405 20.891990 20.930040 20.967530 21.045505 21.110127 21.192473 21.264540 21.308318 21.394284 21.456135 21.515490 21.621950 21.718239 21.747669 21.789237 21.841013 21.962430 22.004767 22.123508 22.143069 22.278642 22.340252 22.375570 22.553010 22.641240 22.775798 22.872245 22.967922 23.007843 23.253004 23.395888 23.473536 23.589913 23.686491 24.020044 24.074983 24.076589 24.095708 24.145457 24.207369 24.265694 24.320540 24.436136 24.497613 24.516202 24.612820 24.690999 24.716510 24.725155 24.785883 24.838035 24.976302 25.018298 25.044790 25.082812 25.201707 25.265769 25.288201 25.299557 25.427654 25.481802 25.535319 25.605481 25.694971 25.730362 25.781392 25.932248 25.984159 26.037697 26.060505 26.135517 26.162234 26.185449 26.237907 26.370046 26.417752 26.517009 26.628189 26.636569 26.700817 26.870119 26.916936 26.977803 26.991734 27.034130 27.149695 27.251519 27.366631 27.440786 27.509030 27.534856 27.610893 27.641293 27.726311 27.900885 27.935854 27.966357 28.095175 28.132502 28.238540 28.297080 28.336539 28.407238 28.522014 28.627950 28.691727 28.733786 28.770501 28.789997 28.823826 28.864420 28.950260 28.969061 29.035816 29.074510 29.104768 29.211197 29.255670 29.346683 29.447764 29.492274 29.527852 29.610864 29.681903 29.759488 29.787112 29.835836 29.899951 29.931023 29.965306 30.031589 30.080248 30.126267 30.170464 30.219008 30.319656 30.339882 30.371911 30.420665 30.432104 30.540495 30.572749 30.609976 30.708616 30.729072 30.839741 30.904517 30.935646 30.972089 31.060315 31.109407 31.226829 31.266993 31.302018 31.357582 31.396476 31.443100 31.472500 31.481031 31.615797 31.656330 31.730626 31.754981 31.909052 31.972618 32.003807 32.065986 32.138547 32.212721 32.401511 32.460215 32.507059 32.530935 32.580927 32.622686 32.693528 32.730641 32.799092 32.821563 32.904248 33.007924 33.032977 33.040457 33.088093 33.160026 33.175948 33.192608 33.289444 33.309717 33.371205 33.377667 33.540917 33.557205 33.594492 33.655121 33.698355 33.749369 33.776503 33.906652 33.946041 33.999733 34.063633 34.106918 34.155199 34.204838 34.347872 34.375407 34.416571 34.600038 34.617380 34.679707 34.763857 34.847315 34.868974 34.916639 34.995575 35.110299 35.298740 35.312077 35.377606 35.467336 35.531072 35.718093 35.785398 35.942567 35.969864 36.229710 36.389653 36.441473 36.683912 36.768174 36.998700 37.360524 37.499221 37.626175 37.755943 37.906358 38.220788 38.297753 38.480668 38.625414 38.743124 38.855671 38.880287 38.933223 39.015216 39.158596 39.209815 39.426410 39.444346 39.517297 39.651046 39.696202 39.712717 39.792355 39.912147 39.946484 39.979448 40.060315 40.116027 40.187646 40.365246 40.399063 40.451103 40.472497 40.557257 40.643469 40.691203 40.790955 40.865407 40.882376 41.060921 41.106513 41.181705 41.237361 41.320408 41.343949 41.457324 41.466347 41.518409 41.649773 41.737427 41.771228 41.917973 41.950929 42.072028 42.137920 42.172851 42.219303 42.252740 42.330736 42.437095 42.542579 42.584741 42.653743 42.755627 42.818227 42.880877 42.900796 42.989226 43.019249 43.068529 43.084575 43.190899 43.230387 43.334731 43.370549 43.420792 43.509051 43.784351 43.878974 43.931930 43.964108 44.026535 44.107361 44.171466 44.247366 44.361686 44.437745 44.500828 44.580238 44.621105 44.749035 44.900092 44.969030 45.042278 45.142394 45.166872 45.258194 45.312227 45.392402 45.472244 45.593788 45.637335 45.808197 45.876665 45.919633 46.145868 46.323958 46.392487 46.497262 46.505009 46.655904 46.895338 46.939692 46.957597 47.128754 47.153726 47.267835 47.324511 47.483940 47.515473 47.605154 47.784924 47.893660 47.977815 48.034978 48.118809 48.200791 48.327006 48.384771 48.505012 48.563565 48.717754 48.750491 48.799862 48.868993 48.926364 49.039262 49.083696 49.181311 49.247330 49.314030 49.344549 49.411055 49.530259 49.574138 49.702741 49.745593 49.788816 49.844326 49.901149 49.909054 49.987228 50.067605 50.110368 50.161667 50.258062 50.280025 50.335769 50.421677 50.506283 50.577436 50.593873 50.643005 50.726623 50.792348 50.828057 50.913627 50.927024 50.997965 51.086612 51.140889 51.198386 51.234900 51.324915 51.371790 51.491229 51.513952 51.595169 51.679025 51.704382 51.757933 51.815941 51.941898 51.993360 52.054855 52.070811 52.172692 52.224766 52.293314 52.311364 52.430870 52.512871 52.591044 52.601074 52.650774 52.759616 52.797269 52.846091 52.918002 52.998310 53.041170 53.083252 53.139101 53.162275 53.278527 53.315928 53.373894 53.457415 53.487687 53.499455 53.548041 53.652794 53.720347 53.763656 53.807557 53.900014 53.971450 54.078539 54.136015 54.163372 54.212552 54.230427 54.328542 54.346498 54.409349 54.501896 54.521313 54.590129 54.606930 54.682200 54.749983 54.800850 54.816671 54.909557 54.953999 54.993339 55.048373 55.058611 55.134906 55.167025 55.216610 55.315233 55.325669 55.396702 55.461743 55.521310 55.542407 55.649749 55.666803 55.701499 55.762470 55.800989 55.866016 55.922506 55.957219 56.077033 56.094462 56.117090 56.177406 56.262085 56.278392 56.339242 56.366914 56.423692 56.458122 56.550918 56.565366 56.595729 56.644609 56.688329 56.752750 56.861656 56.889478 56.922061 56.941452 56.974105 57.026179 57.077765 57.101288 57.136114 57.193847 57.208509 57.268354 57.323606 57.362075 57.408723 57.456828 57.463940 57.502654 57.549322 57.592384 57.654562 57.693459 57.714977 57.745802 57.772920 57.839291 57.867161 57.898241 57.953113 57.985702 58.040968 58.053182 58.115709 58.150387 58.178494 58.203744 58.315213 58.327699 58.362355 58.372011 58.417462 58.494310 58.517651 58.582561 58.642636 58.663863 58.698436 58.742349 58.783142 58.803044 58.888691 58.894009 58.948736 58.986389 59.011761 59.043603 59.059652 59.134031 59.242190 59.266118 59.297426 59.332416 59.400076 59.443045 59.504512 59.590030 59.622247 59.668189 59.761679 59.778964 59.825482 59.831581 59.885872 59.969634 60.032872 60.052401 60.090047 60.199693 60.257275 60.320178 60.348724 60.398595 60.467110 60.497423 60.627177 60.658872 60.691560 60.755648 60.815262 60.889820 60.955335 61.023166 61.078682 61.182890 61.216977 61.304196 61.344747 61.422733 61.465842 61.568834 61.615249 61.684622 61.779967 61.787971 61.886334 61.897042 61.960852 61.975350 62.148085 62.197075 62.282438 62.339264 62.400421 62.483877 62.568010 62.582052 62.637087 62.752973 62.921505 63.081672 63.172715 63.246441 63.409927 63.542454 63.675379 63.769053 63.804981 63.916483 64.017355 64.127803 64.227954 64.320362 64.384804 64.437135 64.460450 64.587051 64.589930 64.668668 64.678215 64.748981 64.843667 64.945849 65.124972 65.155233 65.206598 65.271288 65.366466 65.441676 65.497855 65.569876 65.687001 65.692831 65.865461 65.955738 66.066303 66.109196 66.190259 66.336027 66.394419 66.427860 66.451516 66.504637 66.570262 66.688665 66.791540 66.879282 66.954923 67.027551 67.066029 67.120846 67.213044 67.245415 67.394227 67.453822 67.483367 67.574025 67.646346 67.675970 67.782559 67.882159 67.897207 67.992094 68.060441 68.114478 68.131616 68.275025 68.349171 68.543459 68.602397 68.707113 68.845495 68.909669 69.097301 69.173729 69.267400 69.293608 69.350447 69.412022 69.485852 69.686918 69.715964 69.881439 69.993817 70.126974 70.189553 70.310063 70.515557 70.688034 70.701866 70.759080 70.884575 71.187325 71.317945 71.372430 71.596351 71.756451 71.908973 71.911990 71.942821 72.125156 72.152242 72.327688 72.416252 72.630990 72.788422 72.836169 73.063025 73.095527 73.296096 73.377253 73.464742 73.530205 73.767974 73.925758 73.961376 73.992027 74.066532 74.219388 74.260486 74.339039 74.419413 74.536592 74.607852 74.736123 74.807412 74.945514 75.043218 75.182096 75.225599 75.264560 75.481092 75.653417 75.716248 75.900738 76.039686 76.114324 76.205601 76.349480 76.455259 76.582404 76.655725 76.715798 76.814428 76.883022 76.921829 77.002971 77.084314 77.200656 77.303210 77.439763 77.469452 77.634700 77.724411 77.769828 77.812924 78.018303 78.055085 78.197922 78.228344 78.369774 78.606802 78.666092 78.680874 78.840329 78.934150 79.048328 79.222230 79.263428 79.327702 79.539238 79.670319 79.884321 80.043743 80.185171 80.247026 80.340700 80.419638 80.574350 80.588120 80.755381 80.825473 80.952912 81.011436 81.112753 81.302786 81.389351 81.444381 81.529586 81.585402 81.724874 81.823283 82.030756 82.118159 82.183697 82.280929 82.357428 82.442989 82.604065 82.645820 82.975604 83.000943 83.139902 83.246323 83.350430 83.394665 83.419663 83.570120 83.657697 83.761446 83.879955 83.941246 84.177171 84.209361 84.276701 84.422793 84.455817 84.616166 84.699577 84.838152 84.896574 85.136259 85.311605 85.443345 85.511599 85.637591 86.035101 86.074024 86.152730 86.387313 86.599628 86.745803 86.915828 87.019435 87.479399 87.638454 87.942048 88.297401 88.626188 88.649996 88.866742 89.091924 89.214587 89.496608 89.648410 89.927990 90.010424 90.204751 90.403901 90.705001 90.852261 90.999222 91.066167 91.246373 91.361838 91.551927 91.920814 91.996155 92.092289 92.211073 92.497370 92.550617 92.618610 92.932101 93.142466 93.244208 93.438450 93.886952 93.995436 94.411316 94.548925 94.700170 94.763789 94.914664 95.186276 95.355452 95.699704 95.890210 96.035693 96.323740 96.780741 97.300097 97.475706 97.624818 98.226346 99.122078 99.339083 99.982846 100.230474 100.458237 101.167911 101.501882 102.038207 102.296479 102.519223 102.930505 103.055523 103.296867 103.542982 103.658599 103.782307 103.916360 104.241440 104.706141 104.877278 105.243407 105.543710 106.133796 106.590700 106.779476 106.974423 107.212768 107.315340 107.961947 108.090230 108.317800 108.972875 109.067406 109.489107 109.676068 109.958773 110.750455 111.176359 111.408438 111.482115 111.912446 113.736227 114.008223 114.059410 117.256091 128.740805 129.011854 129.382307 129.597038 129.853469 130.018969 130.157620 130.193858 130.522244 130.786894 130.920325 131.114188 131.193024 131.291565 131.597585 131.857094 132.480226 132.575436 139.279585 147.515476 148.164205 148.360393 148.475224 148.683263 149.056276 149.111333 149.296177 149.401752 149.758754 149.850788 149.974594 150.412313 150.606432 150.914944 151.019206 151.403728 151.482719 151.716496 151.882086 151.962551 152.111771 152.400133 152.555160 153.003172 153.079751 153.480766 153.535327 153.674833 153.920105 154.250275 154.469924 154.747620 154.920946 154.935334 155.079931 155.270446 155.528419 155.615182 155.657925 156.183813 156.269663 156.351936 156.560279 156.739082 156.799859 156.977091 157.120967 157.214169 157.373332 157.557264 157.632170 157.890211 158.049110 158.153478 158.325830 158.572234 158.618207 158.811601 158.865341 159.012690 159.151456 159.342044 159.519548 159.734572 159.833228 160.237389 160.455517 160.632580 160.671271 160.764324 160.956249 161.065719 161.151787 161.447434 161.638936 162.086587 162.255277 162.484146 162.573932 162.820366 163.069515 163.339668 163.524298 163.660998 163.908692 164.044149 164.239790 164.445453 164.662964 164.858175 165.193894 166.051241 166.174928 166.362467 166.436923 166.653620 166.958803 167.159108 167.263725 167.465485 167.482066 167.821733 168.260867 168.317438 168.442725 168.782590 169.035626 169.152158 169.220826 169.668017 169.766274 169.970670 170.170879 170.312283 170.410136 171.017653 171.292836 171.356179 171.987493 172.152391 172.317940 172.672050 173.034668 173.177811 173.353135 173.559976 173.633892 173.949564 173.999918 174.051985 174.387928 174.745846 175.085497 175.449964 175.588819 175.656302 175.931527 176.104503 176.318236 176.505559 176.592495 176.709093 176.827463 177.119427 177.189482 177.449152 177.784202 177.837516 178.391335 178.859698 179.070221 179.135356 179.437568 179.633485 179.891989 179.980877 180.537595 180.825551 181.015002 181.300768 181.579843 181.779805 181.875243 182.027199 182.173493 182.559915 182.794631 183.013821 183.137783 183.281413 183.503233 183.692523 183.875224 183.924373 184.177117 184.415250 184.539663 184.839317 185.016674 185.632018 185.885514 186.018656 186.198400 186.925143 187.460423 187.749539 188.277496 188.740890 189.102391 189.534250 190.918751 191.040646 191.284939 191.738028 192.269209 192.536582 192.686921 192.918621 193.579099 194.380975 194.948651 195.479135 195.574670 196.002583 196.470077 196.753970 197.522788 198.616794 199.141444 199.656767 200.245727 200.458566 202.015084 202.428298 203.022474 203.404890 203.550854 203.733719 204.463105 204.655543 205.036530 205.109673 205.415724 206.095533 206.361233 206.585262 206.986354 207.485118 208.024429 209.380171 210.541234 210.775739 211.215884 211.591592 212.125786 212.844210 213.473523 215.292417 216.079371 217.824002 219.017867 223.757615 955.121810 955.350120 957.393019 959.453843 962.489684 962.785953 963.812393 964.702347 965.283738 965.617886 967.781557 968.858706 970.266812 970.454650 970.713635 972.113606 972.510717 973.483812 975.127286 975.757588 976.140287 976.487052 976.908504 977.391078 978.288639 978.786878 979.052926 980.423730 980.636733 981.050520 981.751333 982.511628 983.195754 983.358390 983.809762 984.815683 985.530347 985.741972 986.676268 987.121208 987.808154 988.541746 989.361845 989.832611 991.279170 992.275957 993.105798 994.929065 995.407418 996.205506 997.433066 998.698897 1000.092101 1003.004919 1004.162684 1005.848815 1008.344529 1009.840248 1012.253115 1014.862654 1016.949411 1031.308177 83133.345398 83137.255575 83140.998786 83142.417133 83149.323953 83149.750692 83150.603829 83151.936310 83154.801578 83156.288139 83162.344735 83163.417184 83165.012182 83167.560843 83171.791157 83179.689905 83180.785706 83180.960575 83187.477307</array>
                     <array dataType="xsd:string" dictRef="cc:irrep" size="1681">A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A 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>
                  </list>
               </module>
               <module cmlx:templateRef="logfile" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:hartree">-30.32548007</scalar>
                  <scalar dataType="xsd:double"
                          dictRef="cc:potentialEnergy"
                          units="nonsi:electronvolt">-825.198738</scalar>
                  <scalar dataType="xsd:integer" dictRef="a:charge">-10</scalar>
                  <scalar dataType="xsd:string" dictRef="a:converged">GEOMETRY CONVERGED</scalar>
               </module>
               <module cmlx:templateRef="fit.test">
                  <scalar dataType="xsd:double" dictRef="cc:sumfragments">0.00000000073219</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:ortho">0.00225344456529</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:fitscf">0.00176972466010</scalar>
               </module>
               <module cmlx:templateRef="mulliken">
                  <module cmlx:templateRef="charges">
                     <list cmlx:templateRef="row" id="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="81">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="81">O W O W O W O W O W O W O W O W O W O W O O W O W O O W O O O W O O O O W O W O W O O O O O O W O O O W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="81">-1.0585 2.7904 -0.9922 2.7587 -1.0813 2.7690 -1.0168 2.7453 -1.0227 2.7424 -1.0358 2.7489 -1.0309 2.8046 -1.0673 2.8240 -1.0262 3.2481 -1.1832 2.7872 -1.0489 -1.1755 2.8029 -1.0695 2.8633 -1.0272 -1.1814 2.8442 -1.0523 -0.9445 -1.1861 2.7890 -1.0595 -0.9383 -1.0527 -1.0066 2.7373 -1.0158 2.7368 -1.0343 2.7387 -1.0300 -1.0395 -0.9160 -1.0334 -0.9281 -1.0748 2.8276 -1.0149 -1.0364 -1.0419 2.8506 -1.0691 -0.9296 -1.0083 -1.0725 -0.9631 -1.1520 -0.9292 -1.0626 -1.0202 -0.9631 -1.0468 -0.9585 -1.0442 -0.9203 -1.0475 -0.9145 -1.0520 -0.9435 -0.9322 -1.0286 -1.0562 -0.9163 -0.9346 -0.9311 -1.1642 -0.9598 -1.0463 -0.9604 -0.9591</array>
                        <array dataType="xsd:double" dictRef="a:orbitalS" size="81">1.9708 2.0806 1.9531 2.0645 1.9473 2.0638 1.9476 2.0884 1.9566 2.0897 1.9544 2.0864 1.9464 2.0744 1.9561 2.0574 1.9503 1.9443 1.9558 2.0740 1.9440 1.9542 2.0691 1.9574 2.0631 1.9476 1.9540 2.0680 1.9416 1.9962 1.9553 2.0819 1.9419 1.9631 1.9498 1.9529 2.0901 1.9575 2.0893 1.9545 2.0901 1.9497 1.9562 1.9713 1.9480 1.9668 1.9474 2.0668 1.9508 1.9455 1.9450 2.0557 1.9564 1.9678 1.9522 1.9570 1.9581 1.9579 1.9665 1.9476 1.9495 1.9590 1.9537 1.9589 1.9447 1.9697 1.9466 1.9711 1.9498 1.9626 1.9691 1.9479 1.9444 1.9705 1.9650 1.9696 1.9575 1.9595 1.9537 1.9592 1.9589</array>
                        <array dataType="xsd:double" dictRef="a:orbitalP" size="81">5.0532 6.0769 5.0088 6.0695 5.1036 6.0755 5.0406 6.0722 5.0346 6.0706 5.0502 6.0725 5.0558 6.0687 5.0784 6.0533 5.0476 6.0164 5.2001 6.0684 5.0780 5.1979 6.0675 5.0795 6.0549 5.0506 5.2042 6.0597 5.0837 4.9085 5.2037 6.0734 5.0915 4.9464 5.0742 5.0234 6.0705 5.0266 6.0673 5.0480 6.0759 5.0507 5.0504 4.9118 5.0554 4.9293 5.0977 6.0602 5.0351 5.0632 5.0698 6.0524 5.0802 4.9299 5.0253 5.0827 4.9760 5.1605 4.9317 5.0854 5.0419 4.9755 5.0618 4.9708 5.0722 4.9176 5.0712 4.9105 5.0725 4.9527 4.9302 5.0528 5.0825 4.9125 4.9390 4.9282 5.1739 4.9713 5.0611 4.9724 4.9711</array>
                        <array dataType="xsd:double" dictRef="a:orbitalD" size="81">0.0345 3.0476 0.0303 3.1030 0.0304 3.0873 0.0286 3.0896 0.0315 3.0928 0.0311 3.0876 0.0287 3.0479 0.0327 3.0608 0.0283 2.7871 0.0273 3.0658 0.0269 0.0234 3.0560 0.0326 3.0142 0.0290 0.0233 3.0236 0.0270 0.0398 0.0271 3.0512 0.0261 0.0289 0.0288 0.0303 3.0977 0.0317 3.1021 0.0319 3.0908 0.0296 0.0330 0.0328 0.0300 0.0320 0.0297 3.0409 0.0290 0.0277 0.0271 3.0368 0.0326 0.0319 0.0309 0.0327 0.0290 0.0335 0.0310 0.0296 0.0288 0.0286 0.0312 0.0289 0.0273 0.0331 0.0296 0.0330 0.0297 0.0282 0.0330 0.0279 0.0293 0.0333 0.0306 0.0333 0.0328 0.0290 0.0315 0.0289 0.0290</array>
                        <array dataType="xsd:double" dictRef="a:orbitalF" size="81">0.0000 0.0045 0.0000 0.0044 0.0000 0.0044 0.0000 0.0045 0.0000 0.0044 0.0000 0.0045 0.0000 0.0045 0.0000 0.0045 0.0000 0.0041 0.0000 0.0045 0.0000 0.0000 0.0045 0.0000 0.0045 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 0.0000 0.0044 0.0000 0.0045 0.0000 0.0045 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0045 0.0000 0.0000 0.0000 0.0046 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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">-5.304</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">87</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">13.86 10.62 10.39 9.32 7.37 3.96 3.64 3.56 3.18 2.83 2.65 2.13 2.04 2.01 1.95 1.88 1.79 1.42 1.30 1.29 1.20 1.15 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S S S S S S S S S S D:z2 D:z2 S S S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -4.317 -26.921 -26.921 -26.921 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">16 11 14 7 19 21 50 2 54 37 13 53 4 28 48 46 8 69 72 22 34 33 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.194</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">88</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">14.88 6.54 6.17 5.94 5.26 4.64 4.61 4.50 4.34 4.26 2.60 2.58 2.34 2.15 2.03 1.85 1.54 1.46 1.45 1.41 1.20 1.19 1.16</array>
                        <array dataType="xsd:integer" 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 D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921</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 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">42 36 53 33 2 34 28 60 7 46 44 5 3 25 31 14 16 24 21 54 81 37 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.178</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">89</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">11.24 10.25 8.91 7.39 6.06 5.24 4.76 4.73 3.62 3.01 2.98 2.56 2.52 2.40 2.26 2.23 2.15 1.15 1.08 1.07 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">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="21"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">31 9 4 32 28 24 11 33 21 6 8 48 19 60 25 30 54 70 53 3 36</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">-5.122</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">90</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">7.96 6.85 6.32 6.25 4.53 4.34 4.09 3.67 3.57 3.13 3.10 3.08 2.13 2.03 1.96 1.85 1.84 1.51 1.34 1.34 1.29 1.11 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">36 44 30 33 13 41 58 42 31 46 19 10 14 11 5 32 26 1 17 39 22 28 16 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-5.096</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">91</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">14.08 7.32 6.83 6.24 5.87 5.09 5.02 4.53 3.16 3.16 3.00 2.97 2.38 2.09 2.09 1.94 1.54 1.34 1.21 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">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">25 22 28 9 37 23 19 24 53 13 46 48 5 34 41 31 18 11 6 21 7</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">-5.053</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">92</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">10.40 8.50 6.88 5.82 5.26 3.65 3.46 3.20 2.58 2.58 2.48 2.28 2.12 2.09 2.03 1.99 1.78 1.67 1.57 1.55 1.53 1.52 1.32 1.15 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">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="25"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">53 2 50 4 21 26 48 19 58 10 8 54 17 60 18 30 42 23 46 15 14 12 25 16 31</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">-4.978</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">93</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">11.54 9.59 8.10 6.62 6.40 5.32 4.70 4.13 2.57 2.29 2.05 2.03 1.89 1.72 1.60 1.54 1.51 1.45 1.43 1.40 1.34 1.28 1.26 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">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">18 10 41 17 58 55 15 12 11 47 16 31 48 39 3 62 46 59 42 40 56 9 14 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">-4.966</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">94</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">15.39 12.91 10.02 7.12 5.43 4.85 3.60 3.26 2.33 2.07 1.97 1.74 1.67 1.64 1.60 1.59 1.33 1.22 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">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">54 57 34 48 8 5 10 7 46 52 28 6 18 21 47 36 40 42 33 13</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">-4.950</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">95</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="14">22.37 12.59 10.70 8.25 5.06 4.87 3.88 2.91 2.53 2.35 1.90 1.89 1.18 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 S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">3 41 48 60 8 54 53 34 6 4 17 10 5 40</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">-4.889</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">96</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">12.58 11.34 7.85 7.59 6.92 5.94 5.23 5.10 4.22 4.10 2.99 2.46 2.30 2.13 1.25 1.21 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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">46 28 7 11 5 32 9 42 6 50 8 34 36 21 4 24 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">97</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">25.20 8.08 6.71 4.53 3.79 3.69 3.52 3.19 2.83 2.71 2.27 1.92 1.69 1.67 1.40 1.37 1.37 1.35 1.25 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">57 36 30 22 25 42 32 9 58 50 7 19 41 46 4 53 62 39 11 48 55 16</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">-4.831</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">98</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="17">43.04 6.37 3.25 2.58 2.46 2.46 2.15 2.13 1.96 1.85 1.68 1.40 1.32 1.31 1.22 1.18 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">S S S S S S S S S S S D:x2-y2 D:xy S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="17"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -4.317 -26.921 -26.921 -26.921 -26.921</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 0.80 0.80 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="17">57 54 32 3 18 9 53 30 55 25 7 65 65 48 42 36 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="17">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">-4.786</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">99</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">11.50 10.08 8.51 4.42 4.10 3.83 3.61 3.44 3.15 3.10 2.83 2.76 2.55 2.36 2.23 2.00 1.82 1.79 1.65 1.65 1.46 1.39 1.12 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">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="25"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">39 25 58 53 55 19 28 45 62 50 4 38 59 30 13 11 22 61 18 43 5 21 14 9 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.760</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">100</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">15.27 10.94 6.94 6.47 4.29 3.93 3.72 3.26 3.11 2.69 2.23 2.17 1.71 1.67 1.64 1.59 1.57 1.38 1.36 1.30 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">47 55 52 24 10 44 33 14 60 34 6 46 40 18 2 37 3 17 8 7 39</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">-4.750</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="22">24.23 5.99 5.24 5.05 4.54 4.28 4.18 3.25 2.60 2.51 2.27 1.94 1.86 1.82 1.78 1.56 1.50 1.46 1.30 1.23 1.16 1.11</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S S S S S S S S S S S S S D:xy S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">55 60 44 33 14 8 48 25 24 16 31 57 10 34 69 42 47 41 3 6 32 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O 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">-4.732</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">14.81 9.22 6.86 6.84 3.39 3.37 3.31 3.27 2.84 2.35 2.28 2.17 2.04 1.95 1.71 1.69 1.62 1.62 1.62 1.43 1.37 1.28 1.27 1.11 1.08 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">S S S S S S S S S S S S S S S S S S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921</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 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">52 55 16 17 31 44 60 22 25 23 5 4 48 28 40 1 41 39 34 36 47 10 9 11 2 64 3</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">15.71 7.71 7.17 6.21 3.95 3.84 3.82 3.18 2.85 2.83 2.78 2.59 2.54 2.46 2.31 2.28 2.08 1.97 1.74 1.31 1.19 1.14 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">47 24 23 2 5 19 22 52 21 55 30 6 37 31 17 54 49 15 34 36 3 16 8</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">-4.683</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">8.52 8.30 7.35 5.77 5.71 5.63 4.62 4.49 3.67 2.64 2.57 2.20 2.07 1.83 1.76 1.75 1.69 1.54 1.50 1.43 1.38 1.25 1.20 1.16 1.14 1.10 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 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="28">32 36 42 25 9 47 4 19 53 46 31 22 28 7 5 33 17 52 23 15 48 11 57 40 34 55 2 8</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">-4.668</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="11">50.87 16.87 3.96 2.06 2.05 1.70 1.48 1.41 1.22 1.03 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 D:x2-y2 S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="11">2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="11">52 47 55 64 54 21 37 12 1 34 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="11">O O O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.636</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">106</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">13.65 10.53 6.20 5.45 5.03 4.51 4.10 3.90 3.75 3.35 2.64 2.58 2.41 2.37 1.58 1.29 1.20 1.10 1.07 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">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">50 21 13 19 49 55 37 5 12 15 32 53 29 35 27 14 28 39 47 33 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.618</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">12.24 9.29 8.44 7.00 5.03 4.75 4.01 3.83 3.12 2.63 2.59 2.50 2.00 1.99 1.94 1.45 1.44 1.43 1.31 1.24 1.11 1.08 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S S S S S S S S S S S S D:z2 S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921</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">22 1 26 17 49 30 23 13 47 20 41 51 4 9 25 2 60 55 36 76 37 6 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.581</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">7.43 6.16 5.60 4.91 4.79 4.67 4.46 4.42 4.24 3.54 3.21 3.12 2.88 2.34 2.12 2.07 1.99 1.63 1.60 1.55 1.53 1.52 1.50 1.46 1.45 1.13 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">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">39 31 40 17 62 2 47 6 45 58 5 33 46 60 16 12 22 34 59 24 38 32 18 43 10 23 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.565</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="13">14.64 11.98 11.35 10.28 9.91 7.36 5.42 4.08 2.66 1.62 1.55 1.13 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">41 8 34 54 49 48 3 47 55 52 26 40 13</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">-4.551</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">110</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">28.22 11.22 6.19 5.04 3.76 3.66 3.57 3.07 2.80 2.30 2.29 1.95 1.91 1.51 1.48 1.19 1.08 1.08 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 D:xy S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">49 40 34 47 10 48 8 37 54 41 15 3 75 35 46 13 2 42 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.541</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">11.35 8.06 7.42 7.08 6.94 4.40 4.19 3.66 3.60 2.89 2.87 2.40 2.31 2.20 2.12 1.98 1.83 1.77 1.66 1.65 1.61 1.46 1.31 1.12 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">S S S S S S S S S S S S S S S S S S S S S S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">56 40 18 55 47 37 21 9 10 49 50 8 16 19 13 6 62 4 46 2 33 42 14 54 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.509</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">9.95 9.28 7.94 5.32 4.95 3.87 3.36 3.29 3.18 2.82 2.69 2.63 2.45 2.43 2.16 2.02 2.01 1.80 1.63 1.61 1.54 1.45 1.24 1.17 1.13 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">S S S S S S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">17 37 56 30 27 2 18 26 6 49 50 40 33 28 55 52 4 19 16 12 21 14 46 9 8 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="20">18.23 7.44 5.88 5.67 5.53 5.16 4.61 3.94 3.58 2.97 2.95 2.52 2.47 2.16 2.07 2.04 1.79 1.69 1.47 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">17 29 27 14 49 28 16 33 13 12 7 24 2 11 26 25 32 52 42 46</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">-4.433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">11.64 9.90 8.31 8.18 6.73 5.89 4.96 3.66 3.27 3.06 3.05 2.62 2.14 2.00 1.96 1.79 1.72 1.50 1.28 1.20 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">S S S S S S S S S S S S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">27 56 29 31 16 7 14 36 18 12 19 49 22 2 6 4 28 46 55 44 5</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">-4.399</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">9.92 8.03 7.49 7.33 6.15 5.24 5.23 5.03 4.13 3.66 2.98 2.24 2.23 2.08 2.02 1.91 1.73 1.41 1.36 1.35 1.31 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">27 17 19 2 33 22 60 4 31 25 13 28 7 42 30 36 40 29 9 23 14 59 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.362</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">23.39 7.76 7.59 5.98 5.83 4.51 3.69 3.08 2.84 2.71 2.09 2.08 2.03 1.89 1.51 1.50 1.45 1.42 1.38 1.28 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S S S S S S S S S S S S D:xy S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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 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="23">35 60 44 11 29 1 49 15 37 7 50 20 14 46 13 80 51 40 21 4 59 19 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O 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">-4.349</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">117</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">25.19 11.99 8.67 7.31 6.42 5.08 4.27 3.98 2.84 2.76 2.43 2.39 1.71 1.51 1.16 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S D:xy S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">35 60 49 44 11 62 29 7 14 15 37 46 80 5 40 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.330</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="13">16.01 14.03 11.46 8.77 6.76 6.39 5.97 5.84 4.76 2.55 1.84 1.22 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S S S S S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">13 30 1 21 37 20 17 35 51 50 76 49 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.321</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="15">29.61 28.69 9.02 2.15 2.14 2.04 1.82 1.43 1.36 1.34 1.27 1.25 1.23 1.11 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S D:x2-y2 S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921 -26.921</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">29 27 62 7 24 25 22 16 59 6 73 60 28 37 42</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">-4.299</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="16">29.26 14.28 8.53 7.02 6.27 4.31 2.49 2.42 1.78 1.76 1.62 1.55 1.38 1.28 1.19 1.16</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">S S S S S S S S S S S S S S D:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">62 59 27 29 61 11 14 24 44 60 5 53 9 46 66 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.273</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">8.94 8.30 7.97 7.66 7.37 6.62 6.43 5.03 4.94 4.94 4.38 2.81 2.48 1.80 1.76 1.64 1.52 1.45 1.29 1.16 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">S S S S S S S S S S S S S S S S S S S S S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317</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">59 42 25 6 24 33 4 29 2 5 19 46 36 45 62 14 16 27 22 11 23 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">23.83 17.85 9.77 7.77 6.12 4.88 3.89 2.75 2.49 2.31 2.17 1.85 1.10 1.09 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">9 5 31 62 23 22 2 4 44 53 25 35 26 28 32</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">-4.238</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">123</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="15">17.99 14.77 10.44 7.63 6.20 6.07 5.69 4.26 3.87 2.31 1.68 1.61 1.47 1.43 1.21</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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">59 6 53 32 61 2 24 5 4 46 19 36 42 38 16</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">-4.184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="13">39.09 16.37 5.37 5.09 4.10 3.86 2.34 2.03 1.98 1.72 1.69 1.69 1.58</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S S S S S S D:yz S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="13"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="13">2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="13">61 59 24 32 6 53 67 38 62 44 60 33 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.183</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="13">20.22 17.51 9.32 6.67 6.56 4.79 4.75 4.22 3.70 3.28 2.20 2.19 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="13">1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="13">S 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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">45 44 28 14 46 61 11 60 16 7 23 22 38</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="13">O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.139</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">25.03 24.03 4.33 3.60 3.56 2.70 2.50 2.43 2.41 2.02 1.96 1.84 1.82 1.76 1.59 1.21 1.14 1.06 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S S S S S S S S S S S S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">45 38 46 9 44 61 5 31 6 53 22 36 2 16 4 19 7 78 43 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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.113</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">127</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="16">22.01 15.78 12.01 10.16 4.79 4.75 4.26 3.03 2.75 2.51 1.38 1.33 1.32 1.19 1.13 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -6.431 -26.921</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">40 56 10 35 17 15 18 29 12 27 49 44 46 16 71 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.084</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="13">15.99 14.90 10.73 8.42 7.80 5.74 5.62 4.81 4.66 3.54 1.99 1.42 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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">32 24 33 23 6 42 25 53 2 22 38 36 61</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">-4.059</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">129</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">24.53 12.99 7.33 6.45 5.65 4.86 4.62 2.97 2.50 2.11 2.10 2.02 1.75 1.71 1.55 1.47 1.37 1.27 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">23 26 22 36 45 38 32 31 33 9 24 43 50 19 21 6 20 42 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-4.014</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="8">51.46 20.70 4.85 4.73 3.28 2.30 1.74 1.17</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="8">1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="8">S S S S D:xz S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="8"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="8">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="8">43 38 26 45 77 44 23 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="8">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">-4.006</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="15">33.44 7.90 7.72 6.92 6.38 5.91 3.98 3.54 3.21 2.45 2.41 1.28 1.18 1.13 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="15">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="15">S S S S S S S S S S S S D:x2-y2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="15"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921 -26.921</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 0.80 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="15">26 21 38 22 23 20 1 50 43 51 13 37 63 36 32</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="15">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">-3.985</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="11">24.65 20.23 14.73 12.03 6.50 3.66 2.94 2.82 2.43 2.37 1.30</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:xz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921</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">56 18 10 40 12 15 27 29 35 71 55</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">-3.708</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="11">22.92 22.47 20.28 6.86 6.84 4.71 2.19 1.92 1.16 1.12 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">S S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="11"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921</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">15 20 51 12 10 35 40 49 18 63 29</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">-3.703</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="10">24.72 22.36 20.98 6.44 6.07 4.17 1.92 1.76 1.23 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="10">1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="10">S S S S S S S S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -4.317 -26.921</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 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">20 51 15 12 10 35 40 49 63 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="10">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">-3.662</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">135</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="11">29.52 14.18 10.63 7.29 6.03 4.92 4.70 3.98 3.82 3.69 2.78</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">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">12 58 18 61 59 15 62 29 27 56 10</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">-3.622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="12">28.49 12.63 11.71 10.66 8.63 5.94 4.98 3.39 1.77 1.42 1.36 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 S S S S S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="12"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921 -26.921</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">58 61 12 59 62 18 15 10 56 29 27 6</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">-3.493</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="6">40.16 23.97 15.24 12.96 1.14 1.13</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="6">1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="6">S S S S S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="6"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -26.921 -26.921 -26.921</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="6">2.00 2.00 2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="6">39 43 38 45 24 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="6">O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">-2.989</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="4">42.95 33.40 19.45 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="4">1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="4">S S S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="4"
                               units="nonsi:electronvolt">-26.921 -26.921 -26.921 -45.536</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="4">2.00 2.00 2.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="4">1 51 20 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="4">O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">6.444</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">11.42 9.18 7.20 6.92 6.10 5.32 4.37 3.43 2.78 2.53 1.96 1.94 1.69 1.68 1.68 1.68 1.66 1.53 1.51 1.40 1.27</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:y P:x P:x P:y P:y D:x2-y2 D:xy D:x2-y2 D:xy D:x2-y2 P:y D:x2-y2 D:z2 D:z2 D:xy D:z2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">48 3 54 8 41 34 54 3 64 69 72 70 81 41 65 69 72 65 64 34 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O W W W W W O W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">6.601</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">14.73 6.83 6.68 5.73 5.09 4.59 3.87 3.40 2.92 2.52 1.99 1.82 1.72 1.61 1.59 1.56 1.50 1.47 1.28 1.09 1.08 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 2 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:z P:z P:z P:z P:x D:z2 D:z2 P:z P:x P:x D:z2 D:xz P:x P:y D:z2 P:y D:z2 D:xz D:yz D:xz D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 4.748 -4.317 -4.317 -4.317 4.748 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 0.00 0.80 0.80 0.80 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">16 14 7 46 11 7 75 69 28 60 44 74 68 46 60 72 11 75 79 66 75 69 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O W W O O O W W O 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">6.787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="20">10.67 9.93 6.27 5.98 5.89 4.28 3.53 3.11 2.86 2.78 2.52 2.49 1.76 1.58 1.43 1.42 1.31 1.24 1.22 1.22</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:y P:x P:x P:y D:xy P:y P:z D:z2 D:x2-y2 D:xy P:y P:x D:x2-y2 D:z2 P:z D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">30 37 21 50 13 30 80 13 33 73 73 75 50 26 74 80 14 73 32 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O W O O W W W O O W W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">6.831</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">8.44 6.36 4.49 4.25 3.14 2.85 2.72 2.42 2.34 2.28 1.96 1.93 1.83 1.79 1.57 1.57 1.53 1.33 1.31 1.19 1.18 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:z P:z P:z P:z P:z D:z2 P:z D:z2 D:z2 D:yz P:z P:z P:z P:z P:z P:x D:z2 P:z P:z P:x D:z2 D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">14 16 19 11 4 72 28 74 69 66 2 7 33 46 53 7 65 42 31 5 76 75 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W O W W W O 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">6.890</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">10.03 5.20 4.64 3.64 3.23 3.20 2.99 2.74 2.56 1.76 1.71 1.64 1.64 1.56 1.55 1.54 1.54 1.47 1.31 1.30 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:z P:z P:z P:z P:z P:y D:z2 P:y P:z P:z P:y P:z D:xz P:x P:z P:x P:y D:z2 P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">33 42 32 2 53 6 81 42 31 19 37 9 67 30 14 50 24 73 25 32 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W O O O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">6.907</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">7.57 6.66 5.90 4.62 4.39 2.83 2.80 2.66 2.23 2.17 2.15 1.98 1.90 1.86 1.82 1.78 1.72 1.44 1.41 1.26 1.19 1.17 1.14 1.11 1.08 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:z P:z P:z P:z P:z P:x P:z P:y D:z2 D:z2 P:z P:z P:z P:z D:z2 P:y D:z2 D:z2 P:x D:z2 D:z2 P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">19 14 16 4 31 11 9 5 28 4 72 65 22 36 46 7 74 11 69 76 36 75 70 9 4 33 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O W W O O O O W O W W O W W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">145</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">12.24 9.80 5.53 4.87 4.24 3.86 3.61 3.32 3.14 2.79 2.42 2.15 1.46 1.42 1.34 1.33 1.30 1.30 1.24 1.16 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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:z2 D:z2 P:z P:x D:z2 P:x P:z D:z2 P:y D:xz P:z D:z2 P:x P:z P:x P:x D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 4.748 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 0.00 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">31 19 36 4 70 65 9 41 80 36 2 76 4 70 22 70 4 53 3 9 64 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W W O O W O O W O W O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.179</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="20">10.82 7.73 6.21 4.42 3.47 3.05 3.05 2.99 2.67 2.66 2.62 2.54 2.39 2.16 1.44 1.42 1.35 1.33 1.13 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:z P:z P:z D:z2 P:y P:x P:z D:z2 P:z P:z P:x P:z D:z2 P:y D:z2 D:z2 P:z P:y P:y D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 4.748 -4.317 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.00 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">2 33 53 64 48 54 42 81 25 31 34 32 63 53 64 73 36 54 42 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O W O O O W 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">7.285</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="16">15.11 11.02 10.49 10.02 5.01 4.33 2.82 2.34 2.27 1.96 1.84 1.74 1.24 1.22 1.13 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:x P:x P:y P:y D:xy P:y P:z D:x2-y2 P:y D:x2-y2 P:z D:xy D:x2-y2 D:xy D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 4.748 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">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 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">41 3 8 48 70 41 19 65 3 81 31 65 64 70 69 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="16">O O O O W O 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">7.295</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="20">11.73 8.72 8.59 5.21 3.98 3.13 3.05 2.95 2.78 2.74 2.38 2.23 1.94 1.93 1.83 1.61 1.45 1.30 1.23 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:x P:y P:z P:z P:y P:z P:y D:xy D:x2-y2 P:x D:xy D:x2-y2 P:y D:x2-y2 P:z D:z2 P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">54 48 34 54 2 53 8 33 34 69 72 41 64 81 3 64 25 63 53 3</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O W W O W W O W O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.464</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">8.33 7.75 7.21 5.36 4.42 3.68 3.47 3.09 3.06 2.90 2.71 2.60 2.34 2.31 2.21 2.06 1.72 1.69 1.58 1.19 1.12 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:z P:z P:x P:z P:y P:y P:y P:y P:x D:xz P:x D:z2 P:x D:yz D:xz D:yz P:y D:x2-y2 D:x2-y2 D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">44 46 28 11 60 7 28 60 21 37 46 79 7 74 50 77 68 66 11 68 79 77 44</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 W W W O W W W 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">2.00</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="19">12.73 12.59 7.67 6.51 4.51 3.98 3.76 2.70 1.61 1.51 1.44 1.41 1.25 1.24 1.20 1.19 1.09 1.08 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 2 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:y P:x D:xy P:y P:y D:x2-y2 P:z P:x P:x D:x2-y2 P:z D:xy D:z2 P:z P:x D:xz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 4.748 -4.317 -10.027 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 0.00 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">21 50 37 13 75 13 50 74 7 44 7 73 28 75 75 46 60 63 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O W O O W O O O W O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.591</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">9.77 6.65 6.19 5.90 4.20 4.11 3.25 2.52 2.47 2.09 1.93 1.92 1.64 1.56 1.52 1.52 1.21 1.17 1.15 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:y P:y P:z P:z P:z P:z P:y D:yz P:y D:yz D:yz D:xy D:xy P:x P:y D:z2 D:xy D:yz P:y P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">24 6 32 25 53 42 25 79 42 67 78 79 78 25 32 63 67 68 53 10 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O W O W W W W O O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.646</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">6.94 6.87 5.93 4.46 4.23 3.97 3.64 3.60 2.98 2.27 2.17 2.05 1.68 1.55 1.53 1.49 1.47 1.33 1.27 1.24 1.17 1.11 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:z P:z P:z P:x P:x D:xz P:y D:xz P:x D:x2-y2 P:y P:z D:yz P:y D:yz D:xy D:x2-y2 D:z2 P:z P:z D:x2-y2 P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">5 9 22 36 36 23 78 23 67 9 67 22 4 66 6 77 77 78 76 19 32 66 4 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O W O W O W O O W O 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">7.719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">7.81 5.17 5.11 4.66 4.17 3.18 2.85 2.58 2.54 2.35 2.25 2.01 1.96 1.72 1.57 1.56 1.48 1.21 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 2 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:x P:y D:xz P:x P:z P:z P:x P:x P:y D:xy P:x D:yz D:xz P:y D:xy D:x2-y2 P:y P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 4.748 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.00 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">10 15 21 71 30 10 15 26 18 34 80 50 71 71 30 81 76 40 12 50 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O W O O O O O O W O W W O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.772</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">13.69 6.28 5.70 4.86 3.29 3.18 2.64 2.55 2.48 2.07 1.85 1.78 1.70 1.70 1.70 1.68 1.43 1.33 1.30 1.26 1.25 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:x P:y P:x P:y P:x P:z P:y P:z D:x2-y2 D:xy D:x2-y2 D:xy P:x D:xy P:z P:x P:x D:z2 D:xy P:z P:x P:y D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">18 10 8 12 15 18 34 12 69 81 70 71 56 70 10 10 12 71 73 15 37 13 74 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O W W W W O W O O O W W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.804</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="35">2.97 2.89 2.85 2.81 2.59 2.57 2.37 2.37 2.29 2.14 2.00 1.98 1.93 1.79 1.56 1.55 1.52 1.44 1.40 1.38 1.35 1.33 1.31 1.30 1.26 1.23 1.22 1.20 1.16 1.11 1.10 1.07 1.07 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="35">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="35">P:z P:z P:x P:y P:z P:x P:z D:xz P:y D:yz D:yz P:z P:y P:y D:yz P:x P:z D:yz P:z P:y P:z P:x D:xz P:y D:yz P:z P:y D:x2-y2 P:x P:y D:yz D:yz P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">3 54 53 4 48 42 8 64 11 65 69 41 7 16 70 30 50 75 34 9 37 2 81 31 80 30 19 66 6 5 72 67 13 28 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="35">O O O O O O O W O W W O O O W O O W O O O O W O W O O W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">7.856</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="19">10.71 9.54 4.79 4.56 3.56 3.51 2.80 1.93 1.84 1.72 1.42 1.39 1.35 1.18 1.14 1.12 1.10 1.10 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 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:x P:y P:x P:x P:y P:x D:x2-y2 P:x P:y D:xz P:x P:y P:z P:y D:xz P:x P:y P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 4.748 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">30 21 26 50 30 18 76 8 4 71 13 10 18 50 71 37 26 3 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O W 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">8.039</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">5.33 5.24 2.77 2.69 2.48 2.10 1.95 1.63 1.62 1.52 1.46 1.37 1.35 1.27 1.23 1.22 1.18 1.18 1.15 1.13 1.12 1.11 1.08 1.06 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:y D:xy P:y P:y P:z P:y P:z P:z P:z D:x2-y2 P:z D:xy D:x2-y2 D:xz P:z D:xy D:x2-y2 P:x P:x P:x D:x2-y2 P:z P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027</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 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">10 18 71 58 41 28 17 7 60 30 70 11 66 81 69 46 81 65 34 4 41 71 17 15 3 16 56</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O O O O O O O W O W W W O W 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">8.097</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="22">7.48 3.42 3.02 2.43 2.32 1.87 1.77 1.75 1.72 1.64 1.61 1.52 1.51 1.41 1.35 1.28 1.24 1.16 1.15 1.09 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:y P:z P:z P:y P:y P:z P:z D:x2-y2 D:xy D:xy P:z P:x P:z P:z P:x P:z D:x2-y2 P:z D:yz D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">58 7 22 6 39 18 54 4 67 77 68 36 17 21 12 12 62 74 48 69 67 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O W W W O O O O O O W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.120</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">3.45 2.60 2.36 2.36 2.34 2.29 2.27 2.20 1.89 1.68 1.66 1.64 1.62 1.54 1.52 1.47 1.44 1.44 1.32 1.27 1.26 1.20 1.17 1.16 1.14 1.10 1.08 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:x P:z P:z D:xz P:z P:x D:xy D:yz P:y P:x P:x P:z P:z D:x2-y2 P:y P:z P:z P:z D:z2 P:x P:z P:x P:x P:y D:xz P:y D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">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 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">58 11 15 7 58 66 11 10 66 81 60 58 37 59 10 67 42 17 46 6 68 6 60 62 42 41 72 33 80 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O W O O W W O O O O O W O O O O W 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">8.170</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">7.44 3.22 2.22 2.21 2.01 2.01 1.92 1.63 1.62 1.53 1.51 1.40 1.40 1.39 1.31 1.31 1.29 1.20 1.19 1.15 1.11 1.10 1.10 1.08 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:x P:y P:z D:x2-y2 P:y P:z D:yz P:z P:z P:y D:x2-y2 D:xy P:z P:x D:x2-y2 P:y P:z P:z P:y D:xy P:y P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">39 24 28 36 11 79 46 25 79 45 46 17 66 71 37 58 78 30 28 10 15 78 18 46 11 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O O W O O O W W O O W O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.195</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">9.74 4.62 2.39 2.07 2.02 1.94 1.86 1.81 1.76 1.70 1.63 1.56 1.52 1.48 1.47 1.35 1.32 1.29 1.28 1.26 1.23 1.19 1.10 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z D:xy P:x P:z P:z D:z2 P:z P:z P:y P:z P:x P:z D:xz D:yz P:z D:yz D:xz P:z P:x P:z P:y P:y D:z2 D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">58 5 66 4 61 32 67 42 28 59 58 12 11 67 66 7 68 68 18 9 2 53 62 66 65 15</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O O O W O O O O O O W W O W W O O O O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.216</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="22">3.74 2.51 2.33 2.24 2.11 2.00 1.83 1.59 1.47 1.44 1.32 1.31 1.30 1.26 1.24 1.15 1.13 1.13 1.12 1.10 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:x P:z P:y P:y P:x P:z D:yz P:y P:z P:y D:x2-y2 P:x P:x P:z P:x P:x D:yz D:xz D:xy P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">17 12 58 15 30 37 15 71 58 60 33 80 31 9 12 18 17 73 80 68 34 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W O O O W O O O O O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.255</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">163</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">3.81 2.95 2.88 2.75 2.55 2.48 2.45 2.35 2.29 2.08 1.96 1.92 1.87 1.86 1.67 1.58 1.55 1.47 1.46 1.35 1.35 1.31 1.29 1.16 1.10 1.07 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 D:xz P:x P:x P:y P:x P:z P:x P:y P:z D:xy D:x2-y2 D:xz P:z D:x2-y2 P:z D:x2-y2 P:x P:z P:x P:y P:y D:xz P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317</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 0.80 0.80 0.80 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">24 39 77 25 32 11 36 39 28 44 37 79 79 78 4 66 48 78 10 50 23 46 22 63 46 60 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O O O O O O O O W W W O W O W O O O O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.269</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">4.94 3.72 2.52 2.50 2.44 2.24 2.22 1.97 1.92 1.58 1.46 1.45 1.42 1.38 1.32 1.32 1.28 1.23 1.20 1.18 1.17 1.13 1.10 1.07 1.07 1.05 1.05 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:z P:z D:x2-y2 D:xz P:z P:y P:x P:y D:xz P:y D:xz P:y P:y P:x D:yz D:xz P:x P:z P:z P:x P:z D:yz P:z D:x2-y2 P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">58 54 13 68 64 7 41 53 18 66 28 69 14 24 7 74 73 16 53 3 32 9 79 25 70 2 21 33 36</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O W W O O O O W O W O O O W W O O O O O W O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.307</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">8.89 2.63 2.62 2.38 2.28 2.18 2.05 1.90 1.71 1.68 1.61 1.60 1.53 1.48 1.44 1.41 1.40 1.39 1.32 1.28 1.26 1.25 1.22 1.20 1.15 1.13 1.08 1.07 1.07 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y D:xz P:z P:x P:z P:x P:y P:y P:z P:z P:z P:z P:z P:x D:xy D:x2-y2 P:x D:xz P:y P:x D:yz P:x D:x2-y2 P:z D:xy P:y P:z P:y P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 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="31">39 79 7 12 46 39 11 28 9 44 28 38 24 37 77 80 36 77 25 30 78 15 79 43 73 13 36 4 15 45 30</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O W O O O O O O O O O O O O W W O W O O 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">8.337</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">4.77 2.59 2.41 2.05 1.98 1.92 1.77 1.66 1.56 1.52 1.52 1.51 1.39 1.38 1.37 1.33 1.26 1.17 1.16 1.07 1.05 1.05 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:z P:x P:z P:y P:x D:xy D:xz P:y P:z P:x P:x D:yz P:y D:xy P:y P:y P:z P:x P:x D:x2-y2 P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">54 41 42 3 41 17 39 67 81 53 32 58 48 65 48 65 3 5 3 10 33 64 19 41</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W W O O O O W O W O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.382</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">3.76 2.94 2.61 2.36 2.14 2.00 1.95 1.95 1.74 1.69 1.63 1.63 1.60 1.50 1.41 1.36 1.29 1.22 1.16 1.13 1.12 1.12 1.08 1.02 1.02 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:x P:y P:x D:xz P:x P:y P:y P:z P:y P:x P:z P:z P:y P:z D:xz P:x D:z2 P:y P:z P:z D:x2-y2 P:z P:y P:x P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">41 42 32 31 70 1 4 42 25 28 48 48 53 44 30 81 9 73 9 21 19 63 32 19 33 6 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O W O O O O O O O O O O W O W O O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.420</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">4.29 4.14 3.48 3.37 2.75 2.56 2.01 2.00 1.87 1.84 1.53 1.46 1.45 1.29 1.22 1.21 1.20 1.14 1.13 1.13 1.05 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:x P:x P:z P:x P:z D:xy P:y P:y D:z2 P:z D:x2-y2 D:x2-y2 P:z D:yz P:y D:xy D:x2-y2 P:z P:z P:y P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317</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 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 28 7 46 11 23 46 77 39 53 75 9 77 68 54 69 7 78 78 36 23 2 36 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O W O O W O W W O W O W W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.447</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">6.47 4.60 3.32 2.98 2.91 2.13 1.93 1.89 1.74 1.58 1.53 1.51 1.31 1.27 1.24 1.23 1.23 1.19 1.11 1.10 1.05 1.02 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:y P:z P:z P:z P:x P:y P:z P:y D:xy P:z P:y P:x P:z P:x D:xy P:z D:z2 P:x P:x D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">25 32 53 53 42 36 44 48 25 58 42 67 24 15 17 3 57 65 28 79 9 42 77 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W O O O O O W O W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">4.18 2.96 2.78 2.64 2.55 2.29 2.22 2.15 1.95 1.81 1.77 1.65 1.55 1.54 1.51 1.44 1.39 1.30 1.26 1.26 1.24 1.21 1.15 1.06 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:z P:y P:x P:x P:z D:z2 D:z2 D:xy P:y P:y D:xy D:xy P:y D:z2 P:z P:x P:z D:x2-y2 P:y P:x P:y P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">39 1 46 21 60 79 77 63 26 58 76 74 25 78 3 17 42 75 50 9 54 23 7 32 19 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W W W O O W W O W O O O W O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.547</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">4.82 4.49 3.35 2.41 2.37 2.31 2.19 1.76 1.73 1.52 1.49 1.48 1.46 1.41 1.22 1.21 1.10 1.07 1.06 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:y P:y P:x P:z D:x2-y2 P:x P:z P:x P:x P:z D:x2-y2 D:x2-y2 P:z P:x D:z2 D:x2-y2 P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">22 4 39 4 22 19 79 24 44 10 25 9 71 78 36 36 76 67 39 12 60</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O W O O O O O W W O O W W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.579</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">5.57 4.08 3.19 2.89 2.50 1.82 1.81 1.68 1.67 1.61 1.61 1.58 1.54 1.48 1.47 1.41 1.39 1.37 1.32 1.28 1.21 1.20 1.10 1.06 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y D:x2-y2 P:x P:y P:y D:x2-y2 P:y P:z P:x P:x D:x2-y2 D:xy P:z P:x P:y P:x P:x D:x2-y2 P:x P:z P:y D:x2-y2 P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 8 34 75 15 47 39 80 13 12 49 13 69 72 15 55 27 12 48 70 54 10 12 74 22 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O O O W O O O O W W O O O O O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.619</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">7.39 4.25 4.07 3.01 2.58 2.40 2.31 2.28 2.21 1.90 1.72 1.55 1.47 1.43 1.39 1.29 1.16 1.14 1.14 1.13 1.12 1.07 1.07 1.06 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:y P:y D:xy D:x2-y2 P:x P:x P:x P:y P:y D:xy P:z P:x P:z P:z P:y P:y D:x2-y2 P:z P:z P:x P:z P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 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 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">3 57 64 65 3 52 48 17 54 65 42 34 9 3 8 52 69 46 39 19 44 32 12 22 10 18</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 O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.671</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">5.39 4.47 3.01 2.77 2.35 2.28 2.12 2.10 1.99 1.92 1.71 1.68 1.47 1.43 1.37 1.34 1.28 1.26 1.19 1.18 1.14 1.10 1.08 1.08 1.07 1.06 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:y D:x2-y2 P:y P:y D:xy D:x2-y2 P:y D:z2 P:z P:z D:x2-y2 D:z2 P:y P:z P:z P:x P:y D:x2-y2 P:x P:x P:z D:xy P:z P:x D:z2 P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">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 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">1 50 26 75 49 3 63 63 15 76 17 5 76 78 57 39 4 26 10 65 50 51 1 65 20 22 66 36 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O W O O W W O W O O W W O O O O O W O O O W O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.710</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">6.13 5.55 5.44 4.72 3.12 2.64 2.61 2.49 2.38 1.93 1.75 1.75 1.69 1.64 1.48 1.47 1.45 1.34 1.22 1.14 1.13 1.13 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:y P:x D:xy D:xy P:y P:x P:z P:x P:x P:x P:x D:xy D:z2 P:x P:x P:z D:xy P:y P:y P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">21 1 1 76 74 51 20 25 54 3 27 46 65 79 57 48 24 64 48 13 50 12 41 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O W W 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">8.764</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">4.01 3.93 2.84 2.64 2.58 2.42 2.32 1.83 1.65 1.58 1.57 1.56 1.52 1.45 1.40 1.30 1.26 1.20 1.19 1.18 1.14 1.10 1.09 1.09 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:y P:x D:xz P:z D:yz P:y P:z P:y D:z2 P:y P:x D:yz P:z P:z P:z D:xy D:xz P:z P:z P:z P:x P:y P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">33 14 72 10 73 60 2 24 68 58 3 81 7 33 60 66 69 12 40 59 16 25 52 55 53 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O W O W O O O W O O W O O O W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.787</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">5.07 4.01 3.20 3.12 2.88 2.75 2.06 2.03 1.96 1.88 1.85 1.68 1.61 1.43 1.40 1.36 1.29 1.23 1.20 1.12 1.10 1.08 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:z P:x P:y P:z P:y D:yz P:z D:yz P:y P:y D:yz P:z P:y P:z D:x2-y2 P:x P:x P:z D:xz P:x P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">5 19 44 16 31 23 69 16 77 60 31 70 55 6 14 66 23 16 8 75 22 18 2 22 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W O W O O W 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">8.806</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">4.32 3.08 2.88 2.58 1.85 1.82 1.80 1.73 1.70 1.66 1.56 1.53 1.51 1.50 1.49 1.39 1.37 1.33 1.21 1.21 1.17 1.15 1.15 1.11 1.10 1.09 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:y P:y D:xz D:x2-y2 P:x D:yz P:z P:z D:yz D:z2 P:z D:xy P:x D:z2 D:yz P:y P:z P:x P:z P:z D:xz P:y P:z D:yz P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">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 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">3 57 16 31 65 65 19 75 18 4 70 65 55 64 58 66 69 57 62 22 11 35 76 24 36 72 48 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O W W O W O O W W O W O W W O O O O O W O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="22">7.79 7.73 7.26 4.31 2.63 2.58 2.33 1.80 1.78 1.65 1.60 1.51 1.43 1.40 1.29 1.25 1.25 1.11 1.05 1.04 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:z P:x P:x P:y P:x P:x P:y D:xz P:z P:z D:xz P:x P:y P:x D:xz D:yz P:z P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">60 16 14 44 7 44 14 6 28 68 34 27 72 39 23 58 79 66 6 58 45 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O W O O W O O O W W O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.899</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">4.89 3.08 2.82 2.80 2.64 2.42 2.18 1.77 1.71 1.67 1.61 1.55 1.46 1.33 1.30 1.24 1.17 1.14 1.11 1.10 1.09 1.07 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:z P:x D:yz P:y P:y P:y P:y P:y P:y D:yz P:x P:z D:xz P:y D:z2 P:x P:x P:y P:y D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">3 48 21 57 74 14 22 8 18 40 28 65 60 28 72 29 77 47 1 12 10 65 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W O O O O O O W O O W O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="14">4.52 4.22 3.72 2.93 2.41 1.80 1.68 1.54 1.37 1.17 1.17 1.14 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">P:z P:y P:y P:y P:z P:x D:x2-y2 P:x P:y P:x P:x P:z D:xz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="14"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="14">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="14">2 6 24 52 33 57 64 48 60 39 31 41 70 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="14">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">8.960</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">2.79 2.37 2.13 2.10 1.96 1.90 1.87 1.79 1.76 1.76 1.75 1.75 1.68 1.68 1.67 1.60 1.57 1.56 1.56 1.39 1.21 1.20 1.17 1.10 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">P:x P:z P:z P:y P:x P:z D:xz P:y P:x P:z P:y P:y P:x D:yz P:y P:z P:z P:x P:x P:y P:z P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 33 2 6 30 30 73 42 32 50 24 25 42 63 2 13 36 13 46 5 31 57 23 31 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O W O O O O O O W O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">8.987</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">183</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">3.42 3.16 3.00 2.54 2.40 2.24 1.98 1.84 1.82 1.76 1.64 1.56 1.48 1.41 1.28 1.20 1.19 1.16 1.15 1.09 1.08 1.07 1.03 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:x P:y P:y P:z P:y P:y P:z P:z P:y P:x P:x P:y P:y P:z D:xz P:y P:y D:x2-y2 P:y P:z P:x D:x2-y2 D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317</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 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">1 57 55 54 2 30 10 50 21 40 48 20 52 51 54 69 6 46 80 28 16 25 63 81 65</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 W O O W O O O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">184</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">3.45 3.19 2.92 2.73 2.64 2.51 2.25 2.16 2.09 1.76 1.53 1.52 1.27 1.25 1.19 1.14 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:z D:yz P:x P:z P:y P:x P:y P:y P:z P:x P:x P:y P:y D:z2 P:z P:x P:y P:x P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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="20">31 64 23 57 5 36 2 53 52 5 19 8 60 68 34 34 39 9 16 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O W O O O O O O O O O O O W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.050</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">2.66 2.17 2.11 1.99 1.86 1.81 1.65 1.59 1.58 1.51 1.48 1.45 1.42 1.38 1.36 1.31 1.30 1.20 1.17 1.16 1.14 1.14 1.13 1.11 1.09 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:z P:y D:xy P:x P:z P:y P:y P:z P:x P:z P:y P:y P:z P:x P:y P:z D:xz P:x P:z P:x P:x P:y P:x P:x D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">30 33 24 67 1 21 28 5 36 16 19 9 52 3 52 22 41 75 5 31 56 50 6 54 23 64 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O W O O O O O O O O O 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">9.087</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">2.88 2.57 2.51 1.97 1.91 1.78 1.69 1.63 1.60 1.56 1.56 1.53 1.44 1.37 1.32 1.32 1.31 1.18 1.18 1.16 1.13 1.12 1.11 1.07 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:x D:xz P:y P:y P:y P:y P:y P:y P:y D:yz D:yz P:z P:x P:x D:xz P:x P:z P:z P:z D:xz P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">47 16 22 1 72 48 34 33 8 42 17 19 76 81 21 14 62 80 9 47 31 40 69 55 37 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O W O O O O O O O W W O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">4.44 2.83 2.79 2.44 1.83 1.71 1.64 1.52 1.50 1.42 1.38 1.37 1.29 1.28 1.25 1.17 1.17 1.16 1.15 1.11 1.08 1.08 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:z P:x P:z P:x D:z2 D:xz P:y P:x P:y D:xz P:z P:y D:xy D:xz P:y D:x2-y2 P:z P:y P:z P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">57 14 47 19 65 72 52 54 40 65 56 61 70 76 55 81 55 26 27 48 17 8 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W W O O O W O O W W O W O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.177</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">3.97 3.75 3.07 2.79 2.65 2.57 2.46 2.46 2.14 2.11 1.67 1.61 1.54 1.47 1.20 1.17 1.15 1.12 1.10 1.07 1.07 1.06 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:x P:y D:yz P:x D:xz P:y P:y P:y P:y P:x P:x P:z P:y D:yz D:yz P:x P:y D:x2-y2 P:z P:y P:y D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">52 57 4 2 64 11 65 59 53 29 40 19 62 53 48 73 72 34 33 81 48 14 19 66 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O W O W O O O O O 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">9.258</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">3.74 3.30 2.79 2.64 1.81 1.79 1.70 1.65 1.62 1.58 1.50 1.40 1.27 1.24 1.22 1.21 1.21 1.18 1.17 1.16 1.11 1.09 1.06 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:y D:xy P:y P:y D:x2-y2 P:y P:y P:y P:x P:x P:y P:x D:xy P:y P:x P:y P:x P:z P:x P:x P:y D:yz P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">35 55 40 80 36 31 73 16 41 10 55 40 21 50 69 37 35 29 54 15 31 36 14 80 35 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O W O O W O O O O O O O W 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">9.272</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">3.32 3.28 3.19 2.75 2.64 2.37 2.07 1.99 1.83 1.74 1.69 1.50 1.39 1.37 1.34 1.34 1.33 1.32 1.31 1.22 1.19 1.17 1.17 1.15 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:z P:x P:z P:y P:y P:y D:x2-y2 P:z P:z D:yz D:xz D:yz P:x P:y P:y P:x P:x P:z P:x P:x P:x P:z D:xz P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">56 47 57 56 18 2 33 70 29 55 73 65 64 10 41 32 14 3 9 47 16 11 52 72 40 31</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O W O O W W W O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.344</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">6.14 3.17 2.71 1.90 1.82 1.78 1.77 1.76 1.71 1.68 1.65 1.64 1.58 1.52 1.48 1.48 1.39 1.35 1.33 1.33 1.22 1.12 1.10 1.09 1.06 1.04 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:y P:x P:x P:y P:y P:y P:y P:x D:yz P:z P:z P:x P:y P:z D:x2-y2 P:y P:z P:z D:z2 P:x D:yz P:z P:y P:y D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">57 3 52 27 48 31 40 3 47 41 64 60 57 22 2 41 72 37 19 6 68 13 70 8 54 19 66 5</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O W O O O O O W O O O W O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.358</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">7.01 2.89 2.88 2.72 2.31 2.14 2.06 1.61 1.57 1.54 1.49 1.45 1.39 1.30 1.27 1.24 1.21 1.17 1.16 1.08 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:x P:y P:x P:y D:z2 P:z P:x P:x P:x D:x2-y2 P:x P:y P:y P:x P:x P:z D:xy P:y P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 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="22">49 33 56 50 49 15 67 5 1 41 55 75 9 40 56 57 2 29 75 18 6 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W O O O 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">9.392</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">5.23 3.52 2.54 2.36 2.26 2.25 2.04 1.60 1.48 1.42 1.41 1.36 1.30 1.29 1.23 1.20 1.20 1.10 1.08 1.08 1.07 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 D:z2 P:x P:z P:z D:yz D:z2 P:y P:y P:x P:x P:x P:y P:x D:z2 P:z D:x2-y2 P:z P:z D:xy P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">47 37 78 57 24 14 75 66 16 52 31 56 42 22 23 68 23 77 60 38 72 9 59</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O W O O O W W O O O 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">9.414</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">4.81 3.45 2.74 2.64 2.26 1.80 1.78 1.77 1.74 1.63 1.62 1.60 1.59 1.57 1.57 1.46 1.36 1.25 1.25 1.19 1.18 1.09 1.06 1.06 1.05 1.05 1.02 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:x P:y P:x P:x P:y P:y P:x P:y D:xy P:x D:z2 P:x P:y P:x P:x P:y P:y P:x P:z P:z P:z P:z D:xy P:z P:y P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">27 49 1 47 29 15 2 54 74 49 67 33 55 12 20 13 51 46 49 54 33 35 75 16 36 26 42 9 6</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">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 O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.436</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">4.73 4.67 3.24 2.66 2.48 2.46 2.22 1.98 1.94 1.94 1.74 1.57 1.50 1.48 1.45 1.45 1.27 1.26 1.22 1.21 1.20 1.17 1.17 1.15 1.14 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:x P:x P:y D:x2-y2 P:z P:y P:x P:x P:x P:y P:x P:x D:xy D:xz D:xy P:z P:x P:x P:y P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">49 37 55 26 52 75 11 47 13 41 12 3 27 50 76 74 72 13 30 3 26 29 37 62 34 20</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 W W O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.453</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">4.28 3.27 2.26 1.97 1.82 1.78 1.76 1.71 1.65 1.61 1.53 1.53 1.43 1.34 1.23 1.15 1.11 1.11 1.07 1.05 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:z P:x P:y P:x D:xz D:xy P:z P:z P:x P:x D:xz P:y P:z P:x D:yz D:x2-y2 P:y P:x P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">27 13 31 26 47 73 63 31 8 53 12 70 55 5 33 81 80 42 51 1 22 37 40</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O W W O O O O W 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">9.473</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="19">6.63 6.49 2.80 2.50 2.31 2.24 2.04 1.95 1.90 1.79 1.43 1.39 1.37 1.29 1.21 1.18 1.17 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:y P:x P:x D:x2-y2 P:y P:z D:x2-y2 P:x P:x P:y D:xy P:x P:y P:z P:z D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">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 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">52 55 49 57 64 48 55 69 8 52 34 72 13 7 7 52 75 53 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O W O 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">9.482</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">5.42 2.68 2.48 2.48 2.36 1.83 1.74 1.48 1.48 1.44 1.40 1.38 1.32 1.30 1.27 1.26 1.23 1.16 1.14 1.13 1.08 1.07 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">P:x P:x P:y P:y P:y D:xy P:x P:z P:z P:x P:y P:x P:y P:y P:z P:y P:z P:x P:x D:yz P:z P:y P:y D:z2 P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</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 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">27 13 49 38 26 74 45 60 46 28 37 62 29 32 49 36 44 47 23 78 28 61 46 78 24 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O W O O O O O O O O O O O O O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">8.86 5.07 3.46 3.40 2.28 2.13 2.05 2.04 1.67 1.65 1.61 1.48 1.45 1.28 1.25 1.23 1.21 1.20 1.20 1.19 1.07 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:y P:x P:z P:x P:z P:x D:x2-y2 D:yz P:y P:x P:z P:x P:y D:yz P:x P:y P:z P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">55 57 8 8 31 3 16 47 69 75 48 34 37 15 35 69 18 4 8 52 55 49 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O W W O O O O O 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">9.590</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">4.21 3.83 3.25 2.60 2.33 1.96 1.72 1.60 1.60 1.60 1.56 1.55 1.54 1.53 1.51 1.47 1.45 1.41 1.34 1.24 1.22 1.21 1.19 1.16 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:x P:y P:x P:x P:z D:xz P:x P:z P:z D:z2 P:x P:z P:x D:xz P:z P:z P:z P:z P:x P:z P:z D:xy P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">47 34 8 54 13 2 74 42 27 1 77 22 3 28 76 26 8 31 17 62 28 33 65 25 34 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O W O O O W 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">9.608</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">3.78 2.89 2.65 2.37 1.98 1.92 1.89 1.82 1.76 1.67 1.41 1.41 1.34 1.30 1.28 1.27 1.25 1.18 1.18 1.14 1.12 1.10 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:y P:z P:z P:y P:z P:y P:y P:z D:xz P:z D:yz P:z P:x P:y P:y D:xz P:y P:x P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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">47 48 35 3 34 34 14 30 29 38 69 22 63 1 29 13 11 74 12 7 27 8 25</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W O W O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.628</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="22">3.46 3.36 2.94 2.66 2.64 2.42 2.26 2.11 2.09 1.99 1.79 1.65 1.57 1.52 1.51 1.44 1.37 1.12 1.10 1.09 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:z P:x D:xz P:z P:z P:z P:y P:x P:y P:x P:x P:y P:z P:x D:xz P:z P:y P:y P:x D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">57 1 26 47 76 19 25 22 44 34 37 38 45 39 38 50 63 2 61 22 19 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O W O O O O O O O O O O O W O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.664</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">3.64 3.52 3.33 3.19 2.65 2.31 2.05 1.89 1.79 1.54 1.52 1.52 1.50 1.48 1.46 1.35 1.34 1.32 1.21 1.21 1.14 1.02 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:y P:x P:y P:y P:x P:y P:y P:z P:y D:x2-y2 P:x P:x P:z D:xz P:y P:y P:y P:x P:x P:x P:x P:x P:x D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 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="24">29 43 55 45 27 35 40 2 50 73 57 35 24 77 56 49 38 29 23 13 21 8 55 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O W O O O W O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.695</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">5.21 3.99 3.55 2.72 2.33 1.96 1.86 1.83 1.56 1.43 1.36 1.27 1.26 1.24 1.23 1.22 1.21 1.19 1.17 1.17 1.13 1.10 1.05 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:y P:x P:y P:x P:z P:y P:y P:z P:z P:y D:yz P:x P:y P:y P:x P:z P:x P:y D:x2-y2 P:x P:y P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 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="24">57 29 62 59 47 5 52 57 52 21 8 73 33 42 13 54 31 61 32 67 37 35 25 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O W 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">9.726</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">6.49 3.73 3.24 3.15 3.04 2.99 2.76 2.69 2.68 2.61 2.38 1.99 1.86 1.73 1.56 1.55 1.49 1.40 1.28 1.26 1.13 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:x P:x P:x P:y P:y P:x P:z P:y P:x P:y D:xy P:y P:y P:x P:z P:y P:z D:x2-y2 P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">57 41 62 52 8 59 55 34 56 48 4 64 52 53 34 19 54 2 65 34 54 35 14</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 W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.783</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">4.66 2.87 2.78 2.74 2.50 2.42 2.42 2.22 1.96 1.85 1.83 1.65 1.53 1.48 1.43 1.42 1.39 1.38 1.20 1.18 1.15 1.13 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:x P:z P:x P:y P:y P:x P:y P:x P:x P:y P:y D:yz P:z P:y P:z P:z P:z P:y P:x P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">55 60 57 23 46 45 29 59 35 45 38 59 57 69 52 47 47 14 35 61 9 7 37 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O W O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.796</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">3.89 3.66 2.91 2.77 2.06 2.01 1.92 1.89 1.88 1.65 1.56 1.49 1.38 1.34 1.34 1.30 1.20 1.19 1.17 1.17 1.16 1.16 1.11 1.07 1.07 1.05 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:x P:y P:x P:y P:z P:z P:x D:z2 P:z D:z2 P:z P:z P:z P:y D:z2 P:x P:z P:z P:z P:x P:x P:x P:z P:x P:z P:y D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">61 43 38 62 29 16 27 9 67 40 78 24 6 47 32 66 59 60 50 43 14 61 38 57 39 35 40 77 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O W O W O O O O W O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.818</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">208</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">4.48 2.83 2.79 2.66 2.28 2.20 2.05 1.95 1.89 1.82 1.79 1.67 1.54 1.52 1.50 1.41 1.34 1.31 1.22 1.16 1.15 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:x P:z P:y P:z P:x P:z P:y P:z P:y P:y P:y P:z P:z P:x P:x P:y D:yz P:x P:z D:xz D:xz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">35 49 57 52 29 57 45 5 35 13 36 56 44 50 36 53 80 57 24 75 65 33</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O W O O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.847</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">209</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.26 4.23 3.89 3.84 2.25 2.20 2.16 1.95 1.81 1.79 1.77 1.66 1.62 1.56 1.49 1.47 1.43 1.42 1.42 1.38 1.28 1.18 1.18 1.16 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:x P:y P:y P:y P:z P:x P:x P:x P:y P:y P:z P:x D:xy D:yz P:z P:x P:z P:z P:x P:y D:xz D:yz D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">37 26 21 35 42 40 30 49 50 25 32 11 28 63 72 45 51 27 2 47 19 74 76 80 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O W W O O O O O O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="20">10.57 2.84 2.32 2.17 2.02 1.77 1.74 1.58 1.49 1.42 1.41 1.37 1.29 1.20 1.14 1.14 1.12 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:y P:z P:x P:y P:z P:x P:x P:z P:x P:z P:x P:y P:z P:z P:x P:x P:z P:z P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">52 38 55 17 52 56 62 54 60 47 41 43 42 4 49 35 33 22 53 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">9.911</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">4.11 3.75 3.56 2.76 2.62 2.18 2.17 1.93 1.90 1.80 1.79 1.68 1.57 1.56 1.43 1.31 1.25 1.24 1.23 1.16 1.09 1.09 1.06 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:z P:y P:z P:z P:z P:y P:z P:z P:y P:z P:x P:x P:z P:z P:z P:z P:x D:yz P:z P:x P:y P:z D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 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">62 59 9 32 59 6 31 22 38 61 23 62 41 45 19 48 44 67 43 61 29 30 78 46 38</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 W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.932</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">2.61 2.47 2.47 2.39 1.99 1.96 1.79 1.74 1.64 1.59 1.55 1.44 1.43 1.34 1.33 1.33 1.32 1.31 1.22 1.20 1.19 1.12 1.10 1.09 1.08 1.07 1.03 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:z P:y P:y P:y P:y P:y P:x P:x P:x P:x P:z P:y P:x P:y P:x P:z P:x D:xz P:y D:xz P:z P:x P:x D:x2-y2 P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">13 26 56 30 26 27 50 16 2 28 56 13 3 11 29 61 7 26 31 74 9 70 8 30 36 76 55 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O W O W O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.954</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">4.26 3.66 3.30 2.56 2.38 2.09 1.70 1.57 1.44 1.37 1.34 1.33 1.31 1.29 1.28 1.28 1.26 1.20 1.17 1.11 1.09 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:y P:y P:x P:x P:y P:z P:z P:x P:x P:x P:y P:x P:y P:z P:y P:z D:yz P:x P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 52 47 55 49 57 47 49 7 11 43 25 17 29 16 28 33 64 26 4 14 52 44</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O O O O O O O O W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">9.993</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">214</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.33 3.99 3.22 2.35 2.06 2.04 1.90 1.76 1.69 1.52 1.40 1.39 1.37 1.35 1.33 1.30 1.24 1.23 1.22 1.13 1.13 1.13 1.10 1.09 1.07 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:z P:y P:x P:x P:x P:z D:yz P:z P:x P:x P:x 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:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">52 25 17 57 49 2 63 51 27 33 36 49 56 42 24 52 17 32 9 4 33 25 6 53 29 40 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O W O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.018</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">6.10 5.88 4.76 4.38 3.33 3.08 2.52 2.29 1.87 1.82 1.71 1.63 1.52 1.50 1.49 1.39 1.38 1.28 1.23 1.19 1.16 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:y P:y P:y P:z P:y D:x2-y2 P:z P:x P:z D:x2-y2 D:xy P:y P:x P:x P:x P:x P:x P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">55 47 41 17 47 8 69 16 40 55 72 81 34 56 41 52 17 8 47 27 14 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O W O O O W W O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.042</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">4.35 3.37 2.58 2.23 2.18 2.12 2.01 1.97 1.77 1.70 1.55 1.52 1.46 1.45 1.40 1.39 1.36 1.34 1.34 1.29 1.23 1.18 1.15 1.14 1.13 1.13 1.12 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z D:yz D:yz P:x P:z P:z P:x P:z P:z P:x D:yz D:xy P:y P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">59 29 49 40 35 27 36 36 42 61 31 2 81 73 22 53 8 42 55 42 44 70 77 32 28 7 22 45</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O W W O O O O O O O W W O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">3.41 3.02 2.52 2.37 2.31 2.14 2.11 2.11 2.07 1.77 1.74 1.71 1.70 1.61 1.59 1.56 1.54 1.53 1.47 1.37 1.33 1.33 1.33 1.32 1.30 1.10 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:z P:z P:z P:z P:x P:z P:z P:z P:y P:x P:x P:z P:y P:y P:x P:x P:z P:y P:y P:y P:z P:x P:x P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">44 28 7 62 4 61 25 47 45 38 17 60 43 17 8 16 47 46 60 33 49 19 49 24 11 41 14 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.127</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">5.83 5.35 4.04 2.97 2.55 2.54 2.27 2.09 1.65 1.62 1.55 1.51 1.48 1.47 1.35 1.30 1.25 1.08 1.08 1.05 1.04 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:y P:z P:z P:x D:z2 P:x P:y P:z P:y P:z P:y P:x P:x P:z P:z P:z D:yz P:y P:z P:y P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">61 17 59 43 71 62 38 45 49 10 23 27 45 61 22 18 71 6 53 17 41 32 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O W 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">10.152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">5.71 4.96 2.53 2.44 2.31 2.26 1.98 1.87 1.81 1.68 1.60 1.53 1.44 1.36 1.31 1.25 1.23 1.22 1.20 1.19 1.18 1.16 1.13 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:z P:y P:x P:y P:y P:y P:x P:y P:y P:y P:z P:x P:z P:x P:x P:y D:xy P:y P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">62 61 59 35 37 17 30 5 52 29 47 9 34 38 27 20 45 74 50 62 6 27 1 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.166</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">3.48 2.88 2.79 2.52 2.37 2.12 2.01 2.01 1.98 1.84 1.80 1.63 1.49 1.49 1.20 1.18 1.15 1.13 1.12 1.10 1.10 1.07 1.06 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:z P:z P:z P:z P:x P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:z D:x2-y2 P:z P:z P:z D:yz P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317</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 1.33 1.33 1.33 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">61 59 4 38 43 50 5 42 36 48 21 45 38 17 28 33 16 19 71 14 9 41 78 4 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O W O O O W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.184</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">9.62 5.74 2.47 2.29 1.98 1.88 1.79 1.79 1.79 1.70 1.59 1.59 1.53 1.51 1.40 1.39 1.29 1.28 1.27 1.25 1.10 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:z P:y P:y P:y P:x P:y P:y P:y P:z P:y P:z P:z P:y P:x P:x P:x D:xy P:z P:x P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">17 52 38 29 20 17 61 51 25 24 2 32 6 21 47 57 71 62 59 13 35 56 59</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 O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.230</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="32">3.33 3.31 2.98 2.87 2.56 2.41 1.98 1.98 1.97 1.88 1.77 1.72 1.63 1.62 1.55 1.50 1.48 1.48 1.45 1.42 1.38 1.32 1.30 1.29 1.25 1.15 1.10 1.10 1.08 1.07 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:z P:y P:x P:x P:y P:y P:y P:y P:y P:x P:x P:y P:y P:z P:x P:z P:z P:y P:y P:y P:x P:z P:x P:x P:x P:x P:y P:y P:x D:z2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317</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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">28 7 17 45 47 8 62 52 60 16 44 62 45 49 35 60 59 16 31 14 19 7 11 2 49 53 17 54 37 14 79 71</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 W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.261</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">7.00 3.75 2.52 2.42 2.38 2.37 2.31 2.05 1.86 1.76 1.75 1.62 1.41 1.39 1.32 1.31 1.30 1.27 1.08 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:x P:x P:x D:x2-y2 P:z P:x P:z P:z P:z P:y P:x P:y P:z P:x P:x P:y P:y P:z D:z2 P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">17 59 2 71 29 57 62 11 45 19 33 60 13 52 13 17 33 55 73 21 43</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O W 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">10.291</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">3.60 3.59 3.14 2.96 2.89 2.50 2.40 2.14 2.11 1.60 1.54 1.50 1.48 1.47 1.45 1.34 1.32 1.30 1.24 1.17 1.16 1.11 1.10 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:y P:x P:y P:x P:y P:z P:x P:z P:z P:z D:z2 P:x D:x2-y2 P:x P:z P:z P:x P:x P:x D:x2-y2 P:x P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">29 49 27 17 37 62 50 55 27 27 17 18 71 35 71 26 35 49 19 52 32 74 31 31 15 16</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O W O W O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.363</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">225</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.89 4.44 3.35 3.15 2.71 2.53 2.52 2.24 2.07 1.81 1.79 1.70 1.67 1.56 1.50 1.48 1.47 1.42 1.37 1.26 1.12 1.11 1.09 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:x P:z P:x P:z P:y P:x P:z P:y P:x P:y P:y P:z P:y P:z P:y P:z P:x P:x P:x P:x P:x P:y D:z2 P:y P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317</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 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">49 17 43 14 45 33 43 24 60 26 29 45 8 28 9 11 2 36 45 59 51 54 71 21 55 77</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 W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.388</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">4.40 4.38 3.33 2.85 2.72 2.58 2.48 2.36 1.87 1.76 1.73 1.73 1.59 1.51 1.26 1.23 1.23 1.22 1.22 1.18 1.09 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:x P:z P:z P:y P:z P:y P:z P:x P:z P:x P:z P:z P:x P:z P:z P:z P:z P:z P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">43 61 38 61 43 38 53 6 38 49 8 20 30 33 36 9 42 40 32 37 25 41 2</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">10.440</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">2.11 2.04 1.98 1.82 1.73 1.72 1.71 1.61 1.54 1.48 1.46 1.43 1.38 1.33 1.26 1.21 1.16 1.15 1.14 1.14 1.13 1.08 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:x P:y P:x P:x P:y P:y P:z P:y D:x2-y2 P:z P:y P:z P:x P:x P:z P:y D:yz P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 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">35 19 29 37 25 55 46 7 29 22 80 24 18 20 60 17 10 38 73 19 29 41 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">O O O O O O O O O O W O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.445</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">3.21 3.04 2.41 2.31 2.24 2.18 2.11 2.10 1.95 1.93 1.90 1.75 1.71 1.56 1.49 1.30 1.28 1.27 1.24 1.24 1.19 1.16 1.16 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:x P:x P:y P:x P:x P:x P:x D:xy P:x P:y P:y P:y P:z P:y P:z D:xz P:z P:x P:z P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">13 38 27 23 29 35 20 44 2 21 73 53 28 45 24 30 29 13 80 35 50 33 44 30 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O W O O O O O O O W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.474</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">4.37 2.77 2.50 1.99 1.95 1.92 1.84 1.79 1.78 1.77 1.69 1.49 1.49 1.47 1.37 1.33 1.27 1.26 1.23 1.21 1.16 1.14 1.14 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:x P:y P:y P:y P:x P:x P:x P:y P:x P:y P:y P:y P:x P:x P:z P:y D:xy P:x P:x D:yz P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317</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 1.33 1.33 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 23 42 16 31 57 53 38 31 37 33 47 56 38 55 20 35 8 67 4 10 78 41 56 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O W O O W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.490</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">4.53 3.64 2.98 2.96 2.55 2.20 2.08 1.84 1.71 1.68 1.54 1.52 1.50 1.47 1.36 1.33 1.32 1.30 1.29 1.28 1.27 1.21 1.17 1.17 1.13 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x D:z2 P:x P:x P:z P:y P:x P:x P:x P:z P:x P:y P:y P:z P:z P:z P:z P:z P:y P:z P:x P:x P:z P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">10 47 71 43 18 27 24 55 56 28 51 40 25 5 41 57 18 12 56 41 43 5 9 15 15 29 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O W O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">231</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">8.67 5.47 4.29 3.83 3.76 3.64 2.92 2.35 2.10 2.03 1.91 1.55 1.41 1.34 1.32 1.25 1.24 1.22 1.15 1.05 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:y P:y P:x P:z P:x P:x P:z P:z P:y P:z P:x P:x P:z P:y P:y P:y P:y D:xz P:y P:x P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317</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 0.80 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">40 47 49 49 35 55 15 10 35 47 52 40 40 56 57 26 27 71 41 18 8 81</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 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">2.00</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="28">2.75 2.44 2.42 2.29 2.26 2.06 1.99 1.94 1.79 1.68 1.66 1.53 1.49 1.47 1.45 1.44 1.44 1.41 1.35 1.32 1.31 1.21 1.20 1.19 1.12 1.12 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:x P:y P:x P:x P:x P:x P:y P:z P:y P:z P:x P:y P:y P:x P:y P:y P:x P:x P:z P:x D:xz P:y D:xy P:y D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 0.80 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">51 52 6 47 55 35 13 26 43 9 27 57 19 7 61 36 5 14 29 61 5 3 76 11 73 37 66 21</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O O O O O O O O W O W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.556</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">3.66 3.25 3.16 2.74 2.54 2.31 2.30 2.17 2.16 1.93 1.90 1.84 1.77 1.64 1.62 1.43 1.41 1.37 1.34 1.27 1.24 1.23 1.20 1.17 1.14 1.08 1.07 1.04 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:y P:z P:z P:z P:y P:x P:x P:z P:y P:x P:z P:z P:x P:y P:z P:x P:z P:y P:z P:x P:z P:z P:z P:y P:y P:y P:z D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">31 56 54 36 40 29 56 55 13 6 7 12 25 27 60 48 2 22 11 46 41 34 43 2 36 34 53 45 76 19</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 W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.583</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">4.42 3.45 3.09 2.80 2.58 2.42 2.28 1.74 1.71 1.70 1.44 1.40 1.40 1.38 1.37 1.37 1.32 1.32 1.27 1.24 1.20 1.17 1.17 1.16 1.11 1.10 1.10 1.08 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:z P:y P:z P:x P:z P:x P:z P:y P:z P:z P:y P:y P:y P:z P:x P:z P:z P:z P:z P:x P:x P:z D:z2 P:z P:z P:z P:y P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">40 29 27 61 27 52 56 18 56 57 15 24 62 25 12 35 62 9 53 51 23 20 33 67 36 27 35 59 42 43</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 W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.609</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">5.22 5.18 4.37 3.01 3.00 2.44 2.29 2.15 2.06 1.96 1.90 1.75 1.75 1.73 1.66 1.51 1.50 1.47 1.42 1.41 1.41 1.38 1.38 1.31 1.16 1.15</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:x P:z P:z P:z P:y P:z P:x P:z P:z P:x P:y P:z P:z P:y D:x2-y2 P:z P:z P:x D:xy P:z P:x P:x P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">38 22 56 2 43 43 61 29 35 59 4 53 19 9 78 6 23 34 67 25 41 44 19 25 34 31</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 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">10.652</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">5.52 3.66 3.16 3.10 3.07 2.87 2.48 2.28 2.15 2.12 1.94 1.81 1.55 1.49 1.47 1.34 1.30 1.28 1.22 1.08 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:x P:z P:x P:y P:y P:x P:z P:z P:z P:z D:x2-y2 P:z P:y P:z P:z P:y P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">32 59 33 20 45 24 45 56 55 52 27 68 51 59 49 19 28 62 26 46 14</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O W O O O O O O O O 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">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">237</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">7.24 7.00 6.12 4.87 4.33 2.33 1.83 1.72 1.70 1.64 1.64 1.61 1.46 1.44 1.42 1.37 1.34 1.23 1.19 1.16 1.16 1.15 1.14 1.11 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:z P:x P:z P:x P:x P:y P:x P:y P:z P:x D:xy D:z2 P:y P:x P:y P:y P:y P:x P:y D:z2 P:z P:y P:y P:y P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">62 44 59 60 11 62 35 60 47 14 68 66 28 5 5 46 53 28 6 68 46 7 47 40 7 16 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O W W O O O O O 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">10.693</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="19">21.78 12.15 7.33 2.28 2.14 1.84 1.83 1.68 1.58 1.43 1.21 1.16 1.12 1.07 1.07 1.06 1.06 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 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:y P:x P:z P:y D:x2-y2 P:y P:x D:xy D:yz P:x P:y D:z2 P:y P:x D:x2-y2 S P:y S P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 4.748 -26.921 -10.027 -26.921 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.00 2.00 1.33 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">51 20 20 21 63 1 35 76 63 19 26 76 25 51 63 1 29 51 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O W O O W W O O W O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.697</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">3.97 3.90 3.82 3.77 2.80 2.58 2.30 2.12 2.01 1.93 1.83 1.75 1.69 1.67 1.64 1.60 1.50 1.46 1.39 1.31 1.17 1.15 1.09 1.06 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:x P:x P:x P:y P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:y P:x P:y P:y P:y P:y D:x2-y2 P:x P:x P:z D:xy P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">57 56 40 52 48 35 29 55 56 8 54 27 3 41 54 40 20 29 3 47 43 70 26 47 14 73 53</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.733</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">240</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.33 3.78 2.81 2.80 2.35 2.11 2.09 1.95 1.93 1.68 1.66 1.64 1.62 1.60 1.55 1.48 1.43 1.40 1.39 1.38 1.36 1.31 1.30 1.22 1.17 1.16 1.12 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:z P:z P:z P:y P:z P:z P:z P:z P:z P:x P:x P:z P:y P:z P:z D:z2 P:x P:y D:xz P:x P:z D:yz P:z P:x P:y P:z D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">26 61 46 6 53 37 2 59 25 32 31 3 46 16 8 67 5 5 63 46 31 74 9 43 42 56 68 28</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">O O O O O O O O O O O O O O O W O O W O O W O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.797</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">3.55 3.48 2.94 2.55 2.39 2.34 2.29 2.28 2.04 2.03 1.91 1.82 1.64 1.62 1.54 1.50 1.36 1.34 1.28 1.25 1.23 1.22 1.20 1.18 1.17 1.15 1.05 1.02 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:z P:x P:x P:z P:y P:x P:y P:z P:z P:x P:z P:y P:y P:x P:x P:z P:z P:x P:z P:x P:z P:x P:z D:x2-y2 P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">53 5 43 23 22 37 6 45 11 31 59 42 9 60 9 32 36 14 46 9 16 13 49 62 38 77 13 6 4 53</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 W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.843</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="22">5.14 4.95 3.23 2.52 2.49 2.39 2.11 2.07 1.94 1.67 1.64 1.64 1.44 1.40 1.38 1.35 1.25 1.16 1.08 1.07 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 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:x P:z D:x2-y2 P:y P:y P:z P:x P:z D:z2 P:y P:y P:y P:z D:xy P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">56 45 8 40 38 9 26 70 56 27 2 5 13 79 6 24 46 11 77 53 43 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O W O O O O O W O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">10.860</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">243</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">9.05 4.39 4.03 3.38 3.27 2.55 2.17 2.14 2.00 1.91 1.87 1.81 1.72 1.71 1.51 1.47 1.47 1.31 1.29 1.29 1.18 1.04 1.04 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 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 D:xy P:y P:x P:x P:y P:y P:x P:y P:z P:z P:x P:z P:x P:y P:x P:x P:x D:x2-y2 P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">34 40 8 41 48 81 40 35 3 37 54 56 29 26 38 9 56 15 50 48 26 5 70 33 27</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O W 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">10.955</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="33">2.70 2.60 2.30 2.26 2.04 2.01 2.01 1.92 1.82 1.79 1.67 1.59 1.53 1.49 1.44 1.40 1.40 1.39 1.38 1.37 1.34 1.33 1.28 1.27 1.26 1.25 1.23 1.13 1.12 1.12 1.10 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:y P:x P:x P:y P:z P:y P:x P:x P:x P:y P:x P:x P:x P:y P:z P:x P:y P:y P:x P:y P:y P:y P:y P:y P:y D:x2-y2 D:xy P:x P:x P:y P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</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 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="33">6 4 59 20 42 62 11 5 42 53 30 13 22 27 4 60 43 37 51 21 49 9 60 45 36 68 66 25 23 42 7 29 77</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 W W O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.006</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">5.59 4.35 4.06 2.61 2.46 2.31 2.23 1.94 1.75 1.72 1.56 1.53 1.48 1.40 1.35 1.28 1.24 1.13 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:y P:y P:x P:y P:x P:y P:y P:x P:y P:y P:x P:z P:y P:x P:y P:y P:x P:z P:x P:y D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">6 53 44 5 46 4 49 13 37 35 29 6 16 36 9 31 38 59 45 30 77</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 W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.076</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">3.61 3.61 3.05 2.65 2.44 2.40 2.34 2.27 2.05 1.94 1.93 1.87 1.87 1.82 1.67 1.60 1.58 1.58 1.46 1.42 1.39 1.35 1.30 1.30 1.28 1.19 1.15 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:z P:y P:y P:z P:y P:y P:x P:y P:y P:z P:z P:y P:y P:x P:x P:z P:x P:x P:x P:y P:x P:z P:y P:y P:x P:z P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">29 32 24 38 27 44 15 41 46 56 35 30 12 35 23 24 21 18 22 33 49 40 47 10 37 36 31 8 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">11.104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">247</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">4.50 2.85 2.67 2.64 2.46 2.13 1.98 1.75 1.69 1.51 1.35 1.23 1.17 1.16 1.16 1.15 1.13 1.11 1.09 1.09 1.08 1.06 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:x P:y P:x P:z P:y P:x P:z P:x P:y P:y P:z P:x P:y P:z P:x P:y P:x P:z P:x 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">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">5 24 9 38 32 8 44 35 34 40 3 61 54 42 15 18 27 49 10 46 28 15 4 10 5</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">11.124</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">5.64 4.37 3.34 2.74 2.67 2.60 2.42 2.10 1.89 1.87 1.81 1.70 1.57 1.49 1.49 1.39 1.37 1.33 1.27 1.20 1.09 1.08 1.06 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:y P:y P:x P:z P:y P:x P:z P:x P:y P:z P:x P:z P:x P:x P:y P:z P:z P:y P:z P:y P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">60 44 9 22 11 62 31 46 45 10 5 16 18 28 42 7 36 21 57 18 5 23 13 7 12</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">11.155</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">249</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.27 3.48 2.89 2.88 2.82 2.65 2.60 2.23 2.22 2.06 2.05 2.01 1.96 1.64 1.51 1.45 1.43 1.41 1.29 1.27 1.18 1.07 1.07 1.05 1.05 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:y P:x P:z P:y P:z P:x P:y P:y P:x P:z P:x P:z D:xz P:z P:y P:z P:y P:x P:y P:x P:x P:y P:z P:z D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">23 19 60 22 41 50 30 25 44 9 53 14 6 54 81 60 37 43 11 2 13 37 9 14 26 47 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O W O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">6.29 5.88 3.62 3.07 2.52 2.44 2.28 2.25 2.13 2.12 1.85 1.80 1.61 1.57 1.46 1.44 1.38 1.37 1.32 1.25 1.22 1.22 1.20 1.20 1.19 1.18 1.16 1.11 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:z P:z P:z P:z P:x P:x P:y P:x P:z P:z P:y P:x P:y P:z D:z2 P:y P:x P:z P:y P:z P:x P:x P:x P:z P:y P:x D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">22 23 30 23 36 48 32 48 44 23 21 4 3 9 19 32 78 13 22 60 47 38 19 60 7 41 17 30 77 6</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 W O O O O O O O O O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.223</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="32">5.70 3.99 2.57 2.52 2.37 2.26 2.07 1.88 1.84 1.79 1.69 1.67 1.65 1.60 1.57 1.54 1.50 1.46 1.42 1.39 1.37 1.35 1.30 1.30 1.18 1.17 1.17 1.15 1.06 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:x P:z P:y P:y P:z P:y P:y P:z P:z P:y D:xz D:xy P:z P:z P:y P:x P:z P:z P:x P:z P:y P:x P:z P:y P:z D:z2 P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">50 24 32 24 46 6 42 24 53 25 5 32 63 79 48 41 19 25 7 33 53 61 5 48 13 23 60 79 35 11 33 19</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O W W O O O O O O O O O O O O O W O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.274</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">2.90 2.76 2.71 2.69 2.66 2.24 2.05 1.99 1.97 1.96 1.91 1.90 1.80 1.78 1.74 1.63 1.55 1.54 1.48 1.45 1.44 1.40 1.34 1.29 1.13 1.12 1.06 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:z P:x P:y P:y P:z P:y P:z P:z P:z P:x P:z P:x P:y P:y P:z P:y P:z P:z P:z P:z P:y P:y P:y P:x D:yz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">6 7 25 44 60 23 23 36 43 50 36 42 48 28 16 12 21 31 42 59 28 6 29 4 11 59 74 22 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.348</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">4.14 4.09 3.86 3.17 2.78 2.60 2.50 2.37 2.32 2.13 1.94 1.94 1.88 1.79 1.66 1.58 1.53 1.45 1.43 1.39 1.39 1.28 1.25 1.22 1.18 1.17 1.16 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:x P:z P:z P:x P:x P:x P:y P:z P:y P:x P:y P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">35 56 29 10 12 40 25 37 18 40 24 23 15 33 30 5 17 22 27 8 15 24 48 19 3 12 32 45</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">11.363</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">3.74 2.84 2.78 2.35 2.28 2.20 2.16 2.15 2.14 2.10 1.84 1.75 1.70 1.65 1.62 1.48 1.43 1.36 1.29 1.29 1.26 1.17 1.14 1.13 1.12 1.04 1.03 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:z P:x P:y P:y P:z P:x P:y P:x P:y P:z P:x P:x P:x P:y P:y P:y P:z P:y P:y P:z D:x2-y2 P:z P:x P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">56 23 15 21 34 3 18 17 6 18 13 23 29 54 22 54 24 38 36 42 31 40 78 3 35 33 54 12 3</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 W O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.405</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">5.95 4.90 2.74 2.51 2.46 2.03 1.98 1.96 1.93 1.78 1.68 1.64 1.60 1.57 1.47 1.42 1.39 1.25 1.23 1.22 1.21 1.21 1.20 1.16 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:z P:z P:y P:z P:y P:y P:y P:z P:x P:z P:y P:z P:y P:y P:z P:y P:y P:y P:z P:y P:z P:z P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">21 54 29 34 12 35 40 3 24 55 57 60 20 15 35 10 49 17 38 52 15 25 45 18 42</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">11.477</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">5.15 4.15 3.62 3.59 3.53 2.90 2.65 2.49 2.41 2.29 2.20 2.14 2.01 1.78 1.73 1.51 1.41 1.22 1.21 1.20 1.19 1.13 1.08 1.04 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:x P:z P:x P:y P:y P:y P:z P:y P:z P:y P:y P:y P:y P:y P:x P:y P:x P:x P:x P:x P:x P:x P:y P:y P:x D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317</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 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">50 26 52 49 26 21 49 25 25 24 20 2 37 50 51 20 28 44 15 13 4 19 38 13 38 52 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">5.88 5.20 4.33 3.72 3.56 3.51 3.46 3.23 2.97 1.91 1.85 1.79 1.59 1.52 1.31 1.29 1.20 1.16 1.15 1.10 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:y P:z P:z P:x P:z P:z P:y P:z P:x P:z P:y P:z P:y P:y P:x P:z P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">3 3 48 41 48 54 8 17 34 27 62 15 47 54 27 12 6 62 12 54 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.570</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">258</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">6.60 5.95 5.03 3.83 3.51 2.82 2.41 2.28 2.25 2.17 2.10 1.96 1.90 1.84 1.77 1.65 1.56 1.52 1.36 1.31 1.26 1.21 1.19 1.19 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:y P:y P:y P:y P:z P:y P:z P:x P:y P:x P:x P:x P:y P:z P:x P:x P:x P:x P:z P:x P:x P:z P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">57 34 3 55 57 47 5 3 41 14 8 57 13 12 34 52 55 4 62 48 15 10 21 54 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">11.596</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">7.78 6.75 5.78 5.60 2.88 2.41 2.31 2.26 2.23 1.84 1.75 1.58 1.49 1.49 1.48 1.33 1.26 1.21 1.19 1.15 1.07 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:x P:x P:x P:x P:y P:z P:z P:x P:z P:z P:z P:y P:x P:y P:y P:x P:y P:z P:y P:y P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">8 52 40 48 56 18 56 54 15 49 10 62 56 12 54 26 57 20 16 49 47 36 34 57</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">11.633</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">260</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">4.48 4.39 3.26 3.18 3.03 2.94 2.83 2.69 2.22 2.16 2.14 2.12 1.85 1.73 1.53 1.50 1.43 1.41 1.39 1.31 1.24 1.23 1.22 1.22 1.21 1.18 1.17 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:x P:y P:z P:x P:y P:z P:z P:z P:x P:z P:y P:x P:z P:z P:z P:z P:z P:z P:x P:z P:z P:x P:y P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">3 8 30 59 57 50 3 60 62 59 60 52 49 7 11 34 45 11 3 13 38 58 5 21 23 45 25 31 4</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">11.665</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">7.13 5.83 5.04 4.35 3.57 3.32 3.01 2.73 2.35 2.30 2.17 1.87 1.81 1.72 1.69 1.63 1.62 1.58 1.57 1.53 1.50 1.43 1.33 1.24 1.18 1.17 1.15 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:x P:z P:y P:x P:x P:z P:y P:z P:x P:z P:y P:y P:y P:y P:x P:z P:x P:z P:z P:y P:x P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">58 61 59 61 42 62 60 6 61 29 17 7 5 34 62 7 6 53 31 60 38 33 2 55 4 40 57 6</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">11.678</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">10.07 7.28 3.74 3.39 3.37 2.99 2.74 2.39 2.37 2.37 2.27 2.19 2.10 1.91 1.91 1.83 1.81 1.77 1.54 1.44 1.16 1.09 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:y P:y P:z P:z P:y P:y P:x P:z P:x P:y P:z P:z P:z P:y P:y P:z P:x P:y P:x P:y P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">62 58 59 17 59 35 40 55 59 15 6 40 42 6 60 60 5 61 12 17 15 29 9 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.719</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">4.50 3.61 2.72 2.65 2.58 2.41 2.03 2.02 1.94 1.93 1.80 1.62 1.54 1.53 1.52 1.44 1.43 1.40 1.40 1.39 1.31 1.23 1.22 1.18 1.17 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:x P:y P:y P:y P:x P:y P:z P:y P:z P:x P:y P:y P:x P:y P:x P:y 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="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">37 44 28 11 35 15 14 26 11 14 45 13 50 56 52 36 9 13 3 47 28 61 60 43 40 46</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.745</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">264</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.33 6.72 3.18 3.16 3.13 2.73 2.52 1.85 1.83 1.67 1.56 1.46 1.41 1.39 1.35 1.33 1.33 1.33 1.27 1.26 1.23 1.19 1.19 1.19 1.16 1.14 1.11 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:y P:x P:y P:z P:z P:y P:y P:z P:y P:x P:z P:y P:x P:y P:x P:x P:y P:y P:y P:x P:x P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">62 17 58 56 10 12 61 3 15 13 43 40 21 35 41 47 29 30 15 35 59 51 26 16 2 54 18 40</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">11.768</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="33">5.13 3.58 2.86 2.76 2.37 2.31 2.08 2.05 1.96 1.79 1.67 1.65 1.60 1.49 1.48 1.48 1.47 1.45 1.44 1.40 1.35 1.34 1.33 1.24 1.21 1.19 1.18 1.17 1.16 1.11 1.10 1.07 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">P:x P:y P:x P:y P:z P:y P:y P:y P:y P:y P:x P:y P:z P:y P:y P:y 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:x P:y P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">48 27 23 54 26 14 43 50 26 55 52 28 17 49 7 57 9 53 51 16 47 37 26 20 46 13 8 48 49 34 44 18 16</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">11.800</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">7.71 3.86 3.49 3.00 2.73 2.64 2.48 2.28 2.24 2.21 2.00 1.91 1.71 1.62 1.50 1.46 1.42 1.40 1.34 1.30 1.28 1.23 1.17 1.13 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:y P:y P:x P:x P:y P:y P:y P:y P:x P:x P:y P:x P:y P:z P:z P:y P:y P:x P:x P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">45 45 20 17 12 18 27 43 47 14 16 15 39 33 49 24 57 40 48 35 10 54 47 28 61</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.840</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">7.07 5.23 4.21 4.10 3.38 3.31 3.17 3.13 2.47 2.27 2.00 1.88 1.86 1.85 1.62 1.62 1.62 1.50 1.48 1.42 1.38 1.36 1.18 1.17 1.16 1.14</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:y P:y P:x P:y P:z P:z P:z P:x P:x P:z P:y P:x P:x P:z P:y P:y P:x P:z P:x P:y P:x P:x P:y P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">39 38 38 43 23 38 45 8 24 35 23 16 42 22 56 49 58 56 61 36 59 44 50 31 36 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.884</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">5.70 5.32 4.81 4.06 3.76 2.92 2.47 2.32 2.26 2.20 2.16 2.00 1.98 1.92 1.91 1.77 1.60 1.56 1.54 1.46 1.46 1.22 1.16 1.15 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:x P:x P:z P:z P:z P:y P:y P:x P:y P:x P:x P:x P:x P:y P:x P:x P:y P:y P:z P:x P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">39 45 38 27 43 44 18 56 61 20 29 12 21 27 44 26 28 38 30 17 17 31 23 28 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">11.921</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="23">5.50 4.72 4.31 3.89 3.59 3.03 2.93 2.84 2.35 1.98 1.95 1.76 1.69 1.56 1.48 1.48 1.36 1.33 1.26 1.17 1.16 1.09 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:y P:z P:x P:x P:y P:x P:z P:x P:z P:y P:z P:x P:z P:z P:y P:z P:y P:x P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">45 37 26 26 21 46 27 51 35 39 13 50 3 43 17 23 20 30 12 50 51 36 33</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">11.938</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">4.72 3.84 3.50 3.29 3.18 2.88 2.73 2.29 2.10 2.00 2.00 1.97 1.84 1.80 1.78 1.62 1.55 1.52 1.51 1.49 1.42 1.39 1.31 1.31 1.19 1.13 1.10 1.08 1.07 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:x P:y P:z P:y P:x P:y P:x P:y P:x P:z P:x P:y P:y P:z P:x P:y P:y P:y P:z P:x 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="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">16 7 6 43 7 14 31 34 59 47 8 17 62 5 55 41 17 61 39 45 43 40 57 46 9 59 12 34 37 30</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">11.961</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">8.50 4.22 3.47 3.31 3.14 2.95 2.76 2.63 2.58 2.15 2.13 2.02 2.00 1.94 1.61 1.61 1.56 1.55 1.45 1.43 1.40 1.29 1.28 1.13 1.08 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:y P:y P:y P:y P:x P:z P:y P:y P:x P:x P:x P:y P:y P:z P:y P:x P:x P:x P:y P:y P:x P:z P:z P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">52 3 57 54 5 42 40 60 22 54 25 46 59 46 34 19 32 11 61 45 55 19 45 42 37 4 50</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">11.981</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="35">7.17 4.43 3.24 2.28 1.98 1.90 1.84 1.75 1.71 1.63 1.62 1.61 1.59 1.58 1.49 1.47 1.42 1.41 1.34 1.33 1.31 1.27 1.27 1.26 1.25 1.21 1.20 1.20 1.19 1.16 1.12 1.09 1.08 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:x P:y P:x P:x P:z P:z P:y P:x P:y P:z P:y P:z P:y P:z P:x P:y P:z P:z P:x P:y P:z P:x P:y P:x P:y P:z P:z P:y P:y P:x P:x P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="35"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="35">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="35">48 57 29 17 55 12 33 8 61 27 17 43 43 61 12 10 29 47 57 49 40 61 20 14 47 56 13 38 39 40 56 49 18 18 18</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">12.005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="25">6.52 2.55 2.50 2.19 2.16 2.09 2.01 1.95 1.81 1.76 1.74 1.62 1.52 1.40 1.38 1.35 1.33 1.31 1.30 1.18 1.16 1.12 1.05 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">P:x P:y P:x P:y P:x P:z P:z P:y P:x P:y P:y P:y P:x P:y P:x P:x P:z P:y P:y P:x P:x D:xz P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -4.317 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">25 11 46 35 62 62 38 45 38 22 28 5 21 47 22 2 8 19 4 56 39 63 46 34 39</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O W O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.030</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">274</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">8.11 3.66 3.13 3.01 2.97 2.65 2.12 2.05 1.94 1.92 1.91 1.75 1.66 1.64 1.61 1.56 1.50 1.39 1.37 1.34 1.33 1.32 1.28 1.18 1.15 1.14 1.14 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:y P:x P:x P:z P:y P:y P:y P:x P:x P:x P:y P:z P:x P:y P:x P:z P:x P:x P:x P:y P:x P:z P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">37 35 19 33 29 8 13 47 56 13 48 14 61 11 62 4 59 15 51 6 15 43 11 27 2 49 36 21 61</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">12.088</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">4.55 4.19 3.91 3.76 3.50 3.46 3.00 2.26 2.22 2.22 2.15 2.08 2.07 2.00 2.00 1.67 1.57 1.47 1.44 1.28 1.18 1.13 1.10 1.08 1.05 1.04 1.04 1.04 1.03 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:z P:x P:y P:x P:x 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:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">14 47 2 30 57 52 34 38 16 29 48 37 6 28 24 40 3 4 45 39 48 25 49 41 34 12 61 56 60 33 59</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">12.123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">276</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">6.42 5.18 5.04 3.71 3.55 3.18 2.50 2.47 2.03 1.89 1.88 1.81 1.63 1.62 1.56 1.56 1.52 1.41 1.33 1.24 1.18 1.12 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">P:x P:y P:x P:y P:x P:y P:x P:y P:x P:z P:y P:x P:y P:y P:y P:y P:z P:z P:z P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">52 54 54 2 43 19 48 16 32 50 22 4 55 59 44 58 53 4 52 7 3 55 22</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">12.143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">5.74 4.40 3.75 3.07 3.01 2.65 2.57 2.48 2.35 2.01 2.00 1.81 1.55 1.54 1.53 1.47 1.42 1.40 1.37 1.30 1.27 1.19 1.18 1.17 1.14 1.13 1.12 1.10 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:z P:x P:x P:x P:y P:y P:y P:z P:x P:y P:z P:y P:z P:z P:z P:x P:y P:x P:y P:y P:x P:z P:z P:y P:z P:y P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">61 48 6 24 62 7 4 58 14 60 58 28 53 54 7 49 57 38 44 10 46 20 2 35 55 18 4 15 59 4 11</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">12.199</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="24">5.58 4.80 3.68 3.51 3.21 3.12 2.83 2.49 2.33 2.33 1.98 1.92 1.87 1.80 1.77 1.53 1.40 1.32 1.29 1.27 1.24 1.10 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:y P:y P:x P:z P:x P:y P:y P:x P:y P:x P:z P:z P:x P:x P:x P:x P:z P:y P:x P:x P:x P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">31 55 54 8 54 52 23 5 2 60 51 60 13 24 23 60 29 30 27 31 25 35 48 1</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">12.210</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">279</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">3.51 3.05 2.88 2.84 2.82 2.69 2.24 2.14 2.02 1.99 1.96 1.94 1.88 1.84 1.78 1.66 1.54 1.41 1.40 1.36 1.33 1.27 1.20 1.19 1.17 1.12 1.05 1.03 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:x P:x P:y P:x P:y P:z P:z P:y P:y P:y P:x P:y P:x P:x P:x P:y P:z P:x P:z P:y P:x 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="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">33 17 48 10 2 44 8 56 31 12 62 12 2 4 38 49 40 11 8 15 14 27 15 11 20 47 15 36 25 16</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">12.246</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">3.51 3.28 2.91 2.82 2.64 2.61 2.40 2.37 2.25 2.22 2.16 1.99 1.93 1.92 1.78 1.70 1.63 1.57 1.52 1.52 1.51 1.47 1.44 1.40 1.38 1.38 1.17 1.16 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:z P:x P:y P:y P:x 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:x P:z P:y P:z P:y P:y P:x P:x P:y P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">20 44 60 2 18 19 59 51 2 20 13 25 54 33 57 1 43 13 5 45 3 31 52 59 56 29 18 57 26 59 55</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">12.271</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">281</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.93 2.98 2.94 2.73 2.52 2.50 2.38 2.13 2.13 1.95 1.94 1.84 1.83 1.82 1.81 1.69 1.68 1.58 1.48 1.46 1.42 1.31 1.25 1.24 1.24 1.18 1.15 1.12 1.10 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:y P:z P:y P:z P:x P:y P:x P:z P:z P:y P:x P:z P:z P:z P:x P:y P:x P:z P:z P:y 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="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">59 50 18 62 34 48 61 27 7 30 37 13 27 57 55 4 10 2 4 54 34 7 9 34 58 21 59 26 7 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">12.280</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="36">3.02 2.96 2.83 2.72 2.47 2.37 2.35 2.25 2.25 2.19 2.09 2.07 2.00 1.99 1.97 1.84 1.76 1.67 1.49 1.40 1.40 1.36 1.35 1.35 1.34 1.27 1.22 1.21 1.21 1.20 1.17 1.09 1.08 1.05 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:y P:y P:y P:x P:z P:y P:x P:y P:z P:z P:y P:y P:x P:x P:z P:z P:z P:x P:x P:z P:z P:z P:z P:y P:y P:x P:y P:y P:x P:z P:y P:z P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">15 61 42 10 41 18 12 45 29 26 39 49 62 33 42 21 40 29 4 51 5 62 55 41 31 14 30 16 47 58 23 59 61 36 43 47</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">12.319</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="32">5.74 3.87 3.48 2.81 2.77 2.73 2.47 2.42 2.26 2.26 2.23 2.17 2.02 1.98 1.70 1.57 1.48 1.47 1.40 1.40 1.38 1.38 1.36 1.34 1.31 1.23 1.20 1.14 1.11 1.07 1.05 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:y P:y P:x P:x P:x P:y P:x P:x P:x P:z P:y P:y P:y P:y P:z P:y P:x P:y P:z P:x P:y P:y P:x P:x P:y P:y P:x P:x P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">19 12 10 15 51 8 16 18 1 37 47 46 43 34 35 62 13 22 56 24 4 40 20 20 2 55 45 21 28 55 24 29</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.351</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="32">5.13 4.40 4.26 3.57 3.43 3.28 2.41 2.32 2.13 2.11 1.99 1.91 1.90 1.87 1.66 1.57 1.56 1.47 1.43 1.39 1.39 1.38 1.33 1.32 1.26 1.25 1.16 1.15 1.14 1.08 1.06 1.06</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:z P:x P:z P:y P:z P:x P:y P:z P:y P:y P:z P:x P:z P:x P:x P:z 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:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">23 4 34 43 5 28 11 48 14 5 27 43 13 14 33 61 11 38 25 24 45 23 37 36 35 39 38 9 57 60 41 62</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.366</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">5.05 4.99 3.44 3.38 3.19 2.98 2.92 2.92 2.68 2.24 1.77 1.74 1.73 1.72 1.72 1.66 1.64 1.61 1.52 1.52 1.49 1.36 1.26 1.25 1.21 1.13 1.10 1.05 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z P:y P:z P:y P:z P:x P:x P:z P:y P:z P:y P:y P:y P:z P:x P:x P:y P:y P:x P:z P:z P:x P:z P:x P:y P:y P:y P:y P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">38 24 30 38 31 26 36 16 8 41 6 61 32 20 37 38 40 33 16 23 35 44 56 61 30 15 35 18 19 28 51</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">12.372</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">7.35 6.27 4.95 4.17 3.81 2.74 2.34 2.22 2.16 1.94 1.93 1.85 1.66 1.63 1.60 1.59 1.45 1.43 1.38 1.37 1.36 1.25 1.22 1.19 1.15 1.12 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:y P:y P:y P:y P:x P:x P:y P:z P:z P:x P:x P:x P:y P:x P:x P:z P:z P:y P:z P:y P:z P:z P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">11 16 7 62 46 59 37 42 44 40 14 45 4 39 43 62 3 54 13 8 35 57 53 6 25 51 49</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">12.424</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="36">4.23 4.22 3.88 3.12 2.71 2.62 2.44 2.32 2.25 2.25 2.24 2.21 2.13 1.84 1.54 1.52 1.52 1.36 1.34 1.33 1.29 1.27 1.26 1.22 1.21 1.20 1.19 1.17 1.17 1.15 1.13 1.09 1.09 1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="36">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="36">P:x P:y P:x P:y P:x P:z P:y P:y P:z P:x P:z P:x P:y P:z P:y P:x P:y P:x P:z P:x P:z P:x P:x P:x P:z P:y P:y P:x P:y P:y P:y P:x P:x P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="36"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="36">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="36">40 59 61 53 11 53 5 42 9 4 40 9 41 13 54 18 62 62 59 51 5 10 53 42 57 31 47 58 28 15 56 14 16 7 38 6</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">12.444</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="34">7.18 5.43 3.53 2.70 2.54 2.46 2.37 2.33 2.15 2.15 2.06 1.96 1.91 1.82 1.64 1.59 1.57 1.42 1.42 1.39 1.36 1.36 1.36 1.31 1.31 1.28 1.25 1.25 1.20 1.16 1.12 1.09 1.01 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="34">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="34">P:x P:y P:y P:z P:z P:y P:y P:y P:z P:x P:y P:z P:z P:z P:x P:z P:x P:z P:z P:z P:x P:x P:y P:x P:y P:y P:y P:z P:z P:x P:z P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">4 7 53 8 52 59 62 41 57 6 9 62 45 55 2 4 11 35 24 47 58 53 16 45 45 56 46 59 9 31 54 48 56 36</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">12.466</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">10.86 9.25 3.25 2.44 2.30 2.22 2.10 1.93 1.74 1.73 1.69 1.56 1.56 1.54 1.47 1.45 1.41 1.40 1.33 1.28 1.23 1.16 1.13 1.08 1.06 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:x P:y P:y P:x P:z P:z P:y P:z P:y P:y P:z P:z P:y P:x P:y P:y P:z P:x P:z P:x P:x P:z P:x P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">59 53 53 20 30 59 52 59 61 61 14 1 55 53 15 2 42 51 44 22 40 7 35 57 25 62 4</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">12.500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">5.44 4.64 3.88 3.54 2.71 2.70 2.49 2.45 2.31 2.13 2.00 1.99 1.79 1.74 1.61 1.52 1.46 1.39 1.39 1.30 1.30 1.26 1.23 1.16 1.08 1.07 1.05 1.04 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">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:z P:y P:z P:z P:x P:x P:y P:y P:x P:x P:z P:x P:x P:x P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">41 51 14 42 56 16 53 29 50 30 2 8 48 41 40 47 56 31 13 42 37 33 53 21 19 43 50 7 22</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.522</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">6.35 4.47 3.95 3.44 3.24 2.94 2.81 2.58 2.57 2.55 2.47 2.17 2.08 2.03 1.92 1.82 1.81 1.61 1.47 1.39 1.37 1.36 1.34 1.33 1.27 1.26 1.19 1.17 1.13 1.10 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:y P:x P:z P:y P:x P:x P:z P:x P:x P:y P:x P:x P:z P:x P:z P:z P:x P:x P:z P:z P:x P:y P:z P:y P:z P:z P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">35 30 19 37 49 29 43 43 21 37 16 30 2 49 42 13 3 22 35 34 39 15 44 40 50 57 5 62 38 38 6</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">12.549</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">5.71 5.28 4.15 3.26 3.17 2.96 2.78 2.58 2.45 2.41 2.27 2.12 2.05 1.97 1.89 1.86 1.76 1.62 1.61 1.59 1.27 1.24 1.19 1.14 1.08 1.08 1.07 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:y P:x P:y P:x P:x P:y P:z P:z P:y P:x P:x P:x P:y P:y P:x P:z P:x P:z P:x P:x P:z P:y P:z P:z P:y P:y P:z P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">41 40 20 51 14 56 30 47 15 10 21 16 34 16 41 48 11 62 56 53 40 27 32 55 43 11 45 45 60</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">12.559</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="38">3.42 3.13 2.89 2.57 2.51 2.43 2.39 2.38 2.35 2.35 2.34 2.25 2.23 1.89 1.86 1.85 1.80 1.77 1.68 1.58 1.53 1.51 1.49 1.48 1.42 1.41 1.37 1.25 1.18 1.16 1.13 1.13 1.09 1.07 1.07 1.05 1.04 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="38">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="38">P:x P:x P:x P:z P:z P:y P:x P:z P:y P:y P:z P:x P:y P:x P:y P:z P:x P:x P:z P:z P:x P:x P:z P:y P:z P:x P:x P:y P:x P:z P:x P:x P:x P:y P:x P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="38"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="38">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="38">43 46 39 49 56 31 36 3 13 18 54 21 27 58 19 51 45 29 21 13 31 4 46 5 8 1 19 4 24 38 17 51 27 41 22 36 34 38</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">12.595</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="27">6.15 5.07 4.83 4.33 4.12 3.83 3.65 3.64 3.36 3.19 3.13 2.77 2.43 2.19 2.00 1.72 1.64 1.52 1.51 1.50 1.41 1.39 1.36 1.29 1.09 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">P:x P:z P:z P:y P:x P:z P:x P:y P:y P:z P:x P:y P:z P:y P:x P:z P:z P:y P:y P:y P:y P:z P:x P:z P:y P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">61 40 55 42 11 41 10 7 10 42 9 40 62 9 7 11 49 56 11 4 62 7 17 59 46 37 58</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">12.607</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="28">6.22 5.15 3.59 3.57 3.54 3.34 3.05 2.60 2.56 2.52 2.46 2.37 1.77 1.66 1.62 1.62 1.55 1.51 1.41 1.40 1.37 1.27 1.23 1.20 1.12 1.10 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:y P:x P:y P:z P:z P:z P:z P:z P:y P:z P:y P:x P:y P:x P:y P:z P:z P:x P:z P:x P:x P:z P:x P:x P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">36 16 18 21 54 13 50 35 39 37 11 20 4 25 2 53 3 53 38 26 56 52 46 1 50 17 49 49</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">12.636</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">296</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">8.42 8.16 5.25 4.22 3.83 2.81 2.75 2.62 2.56 2.42 2.27 2.12 2.03 1.97 1.56 1.49 1.40 1.28 1.22 1.17 1.13 1.07 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:z P:x P:z P:z P:z P:x P:y P:y P:y P:z P:z P:x P:y P:x P:z P:y P:x P:x P:y P:x P:y P:y P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">47 14 27 49 48 45 19 43 14 21 45 53 46 46 11 20 39 16 7 33 30 12 51 11</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.640</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="32">3.97 3.93 3.90 3.79 3.56 3.34 3.26 2.86 2.51 2.42 2.17 2.07 2.06 2.05 1.95 1.82 1.78 1.73 1.68 1.59 1.53 1.46 1.44 1.41 1.31 1.29 1.23 1.23 1.18 1.14 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">P:y P:x P:y P:x P:y P:z P:x P:z P:y P:z P:z P:x P:y P:y P:x P:x P:z P:z P:z P:z P:x P:z P:x P:x P:x P:y P:x P:y P:z P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">33 61 18 56 36 54 9 49 46 38 41 46 39 20 7 45 27 9 45 35 33 7 40 59 28 60 2 32 61 30 12 41</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">12.659</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">6.19 4.94 4.56 3.53 2.67 2.59 2.41 2.36 2.20 2.11 2.10 2.09 1.89 1.64 1.62 1.55 1.52 1.52 1.43 1.39 1.38 1.31 1.30 1.28 1.19 1.15 1.13 1.06 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:y P:x P:z P:x P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z P:z P:x P:z P:y P:z P:y P:x P:x P:z P:y P:y P:x P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">42 58 51 59 9 61 48 53 19 10 26 32 33 20 34 54 33 38 59 53 9 38 25 13 39 38 50 10 50 23</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.694</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="34">4.98 3.97 3.73 3.58 3.13 3.06 3.02 2.80 2.44 2.29 2.16 2.15 2.14 1.93 1.80 1.68 1.63 1.51 1.51 1.49 1.48 1.48 1.42 1.39 1.33 1.31 1.22 1.21 1.21 1.11 1.10 1.10 1.08 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:z P:y P:y P:y P:x P:x P:x P:z P:x P:y P:y P:x P:y P:x P:y P:y P:x P:z P:z P:z P:z P:y P:z P:x P:y P:z P:z P:x P:x P:x P:x P:z P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="34"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="34">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="34">50 7 4 14 32 42 61 41 16 9 28 29 13 12 38 32 31 9 38 24 55 19 48 25 35 40 46 27 5 4 24 56 11 11</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">12.743</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">4.19 4.07 3.60 3.57 3.39 3.32 3.28 3.22 3.21 3.16 2.25 2.12 1.84 1.81 1.78 1.72 1.63 1.57 1.53 1.51 1.46 1.40 1.40 1.34 1.33 1.33 1.32 1.32 1.23 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:y P:x P:z P:y P:z P:y P:z P:y P:x P:z P:z P:x P:y P:z P:z P:x P:y P:y P:x P:x P:x P:x P:y P:x P:x P:y P:z P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">58 2 46 61 20 26 44 22 9 51 50 21 58 22 23 60 20 50 46 61 5 19 25 36 33 32 11 48 11 21</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">12.752</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">7.66 5.58 4.39 3.38 3.18 2.87 2.48 2.37 2.29 2.18 2.15 2.12 2.08 1.94 1.76 1.61 1.56 1.48 1.46 1.29 1.28 1.17 1.15 1.14 1.13 1.11 1.07 1.03 1.01 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:x P:z P:z P:z P:z P:y P:z P:z P:z P:x P:z P:x P:x P:z P:y P:z P:y P:x P:z P:y P:y P:y P:y P:y P:z P:y P:y P:x P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">58 51 60 5 20 30 31 56 51 35 58 61 31 59 57 33 29 4 20 52 53 20 62 61 50 32 26 9 42 11 32</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">12.758</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="37">4.15 2.87 2.73 2.72 2.52 2.51 2.34 2.28 2.10 1.97 1.83 1.81 1.79 1.74 1.65 1.65 1.60 1.59 1.58 1.54 1.52 1.49 1.47 1.31 1.30 1.28 1.19 1.15 1.15 1.11 1.11 1.07 1.05 1.04 1.01 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="37">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="37">P:y P:z P:x P:y P:y P:z P:x P:x P:x P:y P:y 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:z P:y P:x P:z P:z P:z P:z P:y P:y P:y P:z P:x P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="37"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="37">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="37">15 32 32 7 30 35 30 28 35 39 23 21 29 18 28 41 10 6 9 9 36 8 3 13 43 38 60 23 17 44 50 2 22 6 33 31 55</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="37">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.784</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="29">7.15 5.91 4.86 4.80 4.64 3.96 3.81 3.07 3.03 2.54 2.07 2.07 1.96 1.80 1.79 1.72 1.72 1.58 1.57 1.56 1.37 1.32 1.27 1.22 1.20 1.09 1.08 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:y P:x P:z P:z P:y P:z P:z P:x P:x P:x P:x P:z P:z P:y P:z P:y P:z P:x P:z P:y P:z P:x P:z P:z P:y P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">31 58 28 35 27 32 56 59 38 58 14 6 47 40 38 5 42 41 36 49 18 30 46 55 43 9 22 36 7</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">12.789</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">304</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">9.41 5.56 4.23 3.39 2.64 2.35 2.27 2.01 2.00 1.94 1.83 1.81 1.78 1.72 1.69 1.61 1.48 1.35 1.31 1.26 1.26 1.25 1.24 1.21 1.18 1.16 1.12 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:y P:y P:x P:x P:z P:x P:z P:y P:x P:x P:z P:x P:y P:z P:x P:z P:y P:x P:z P:z P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">15 50 32 51 60 38 36 28 46 58 54 50 24 31 30 49 43 27 53 56 36 35 53 37 29 2 5 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">12.809</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="31">6.39 5.13 3.59 3.49 3.44 2.87 2.45 2.36 2.27 2.23 2.21 2.20 2.11 1.96 1.86 1.85 1.84 1.70 1.60 1.45 1.39 1.27 1.24 1.19 1.16 1.14 1.10 1.07 1.07 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="31">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="31">P:y P:z P:y P:x P:y P:x P:y P:y P:y P:y P:x P:y P:z P:z P:y P:y P:z P:y P:x P:x P:x P:y P:x P:x P:y P:z P:y P:y P:z P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">12 30 36 12 30 21 27 60 29 38 6 58 35 21 11 44 32 32 19 16 39 4 53 25 9 61 20 15 57 58 18</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">12.829</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="32">8.59 5.88 4.47 3.13 2.41 2.26 2.21 2.03 2.00 1.86 1.85 1.84 1.71 1.67 1.52 1.47 1.43 1.42 1.42 1.37 1.35 1.34 1.33 1.32 1.21 1.15 1.13 1.10 1.06 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">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:x P:y P:z P:x P:z P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:x P:x P:y P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="32">58 15 6 56 31 46 9 4 50 59 14 16 24 43 5 42 40 33 30 51 62 51 20 22 17 58 62 7 5 61 11 41</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">12.859</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">5.97 5.27 5.23 4.01 3.88 3.61 3.16 2.61 2.19 2.13 2.00 1.99 1.81 1.79 1.75 1.65 1.58 1.57 1.43 1.37 1.26 1.19 1.18 1.14 1.10 1.08 1.07 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">P:x P:x P:y P:x P:z P:x P:y P:x P:x P:x P:z P:x P:x P:z P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:z P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">58 53 33 7 29 28 5 31 39 12 56 21 6 60 12 9 46 27 24 61 48 6 59 26 22 11 62 36 5</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">12.876</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">6.32 6.08 5.00 4.90 3.53 3.27 3.27 2.71 2.21 2.17 2.06 2.05 2.01 1.92 1.88 1.86 1.81 1.45 1.41 1.40 1.37 1.21 1.21 1.12 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:x P:y P:z P:z P:y P:y P:z P:z P:y P:y P:z P:x P:y P:x P:x P:z P:y P:y P:z P:x P:y P:x P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">21 32 33 29 51 4 11 5 40 44 19 37 12 36 28 24 34 58 23 27 42 38 14 34 3 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">12.896</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">309</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.91 3.71 3.51 3.48 3.38 3.19 2.99 2.95 2.87 2.79 2.74 2.66 2.35 2.33 2.16 2.08 1.81 1.72 1.72 1.70 1.53 1.53 1.47 1.37 1.33 1.29 1.25 1.18 1.16 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:z P:x P:y P:y P:y P:y P:z P:x P:y P:y P:z P:z P:x P:z P:z P:z P:x P:x P:y P:x P:z P:z P:y P:z P:y P:y P:z P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">44 53 22 20 33 31 29 21 5 44 20 34 42 5 56 40 39 1 60 51 35 8 11 3 12 46 60 26 14 25</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">12.896</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">6.62 5.45 4.88 4.28 3.55 3.00 2.58 2.23 2.16 2.13 1.87 1.82 1.80 1.78 1.75 1.74 1.73 1.65 1.47 1.46 1.44 1.44 1.43 1.32 1.30 1.24 1.14 1.11 1.09 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:z P:z P:x P:z P:y P:x P:y P:z P:y P:z P:y P:z P:y P:x P:x P:z P:x P:y P:y P:z P:z P:x P:x P:z P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="31"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="31">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="31">6 6 9 7 34 8 24 11 29 11 10 2 48 46 51 33 35 14 36 17 56 24 31 18 5 20 33 9 23 60 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="31">O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">12.925</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="21">16.36 7.07 6.32 4.56 4.40 4.26 3.17 2.33 2.32 2.20 2.02 1.89 1.88 1.69 1.59 1.56 1.49 1.33 1.28 1.20 1.20</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">P:z P:z P:x P:x P:y P:x P:y P:z P:y P:y P:y P:y P:z P:y P:x P:z P:z P:y P:x P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">20 51 1 19 2 39 51 24 9 25 45 33 52 1 6 48 23 4 4 6 19</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">12.943</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">13.61 10.21 5.25 4.20 3.33 2.59 2.39 2.32 2.19 2.04 1.98 1.93 1.69 1.61 1.47 1.37 1.30 1.27 1.25 1.22 1.21 1.18 1.18 1.15 1.14 1.10 1.09 1.06 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:x P:z P:x P:y P:z P:x P:z P:x P:z P:z P:y P:x P:y P:z P:z P:y P:y P:x P:z P:z P:y P:y P:y P:z P:x P:x P:x P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">39 43 22 43 20 24 30 36 35 38 20 33 9 24 21 4 46 12 3 6 44 19 23 27 31 28 19 43 36 60</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">12.998</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">16.95 4.82 4.12 3.97 3.45 3.44 3.32 3.21 2.99 2.67 2.61 2.40 2.39 2.34 2.03 1.99 1.87 1.46 1.31 1.22 1.22 1.22 1.20 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:y P:z P:y P:z P:y P:y P:x P:z P:z P:x P:y P:z P:x P:x P:y P:z P:x P:y P:y P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">39 44 38 32 51 23 45 28 43 21 27 23 1 20 38 28 22 2 54 32 45 22 39 16</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">13.012</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">8.67 6.57 4.03 4.02 3.74 3.64 3.41 2.99 2.90 2.87 2.75 2.57 2.50 2.42 2.14 2.14 2.13 2.06 2.00 1.91 1.89 1.70 1.52 1.49 1.46 1.46 1.42 1.36 1.26 1.18</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:y P:z P:z P:z P:z P:y P:z P:z P:x P:x P:z P:y P:z P:y P:y P:x P:y P:x P:y P:z P:z P:z P:z P:x P:z P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">33 13 2 28 41 37 30 54 31 8 24 24 32 23 46 44 36 16 31 22 6 14 3 34 21 50 16 6 7 9</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">13.037</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">315</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.83 5.67 5.53 4.67 4.53 4.36 4.18 3.84 3.76 3.63 3.45 2.67 2.61 1.94 1.70 1.66 1.62 1.58 1.56 1.51 1.48 1.44 1.19 1.13 1.12 1.12 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">P:x P:x P:z P:y P:x P:y P:z P:z P:z P:x P:x P:z P:x P:z P:z P:z P:x P:y P:y P:x P:x P:z P:y P:y P:y P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">1 2 26 51 51 25 54 3 51 20 22 25 53 50 60 24 21 19 2 16 43 44 20 45 4 44 50 50</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">13.075</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="30">6.33 5.23 4.31 4.25 3.94 3.93 3.57 3.55 3.21 3.14 3.13 2.64 2.41 2.25 2.22 2.19 2.11 2.05 1.82 1.56 1.55 1.51 1.26 1.25 1.23 1.21 1.18 1.13 1.04 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">P:y P:x P:z P:z P:z P:y P:y P:z P:z P:y P:z P:y P:z P:z P:z P:x P:x P:z P:z P:z P:z P:z P:x P:y P:z P:z P:x P:y P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">46 32 24 13 26 23 19 37 18 14 23 36 12 15 58 23 24 48 21 34 50 10 6 28 8 5 1 16 20 9</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">13.104</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">7.05 6.66 5.94 5.91 5.90 4.89 3.86 3.17 2.97 1.95 1.89 1.82 1.79 1.77 1.53 1.44 1.43 1.42 1.24 1.17 1.15 1.13 1.10 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">P:z P:z P:z P:x P:z P:z P:z P:z P:z P:x P:y P:y P:y P:x P:x 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="24"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">10 58 23 32 12 15 18 37 6 22 61 9 42 43 28 54 36 46 1 13 17 16 24 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">13.174</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">9.53 7.48 5.59 5.54 5.29 5.16 3.80 3.59 3.24 2.94 2.93 2.93 2.25 1.80 1.62 1.31 1.24 1.23 1.22 1.15 1.09 1.08 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:z P:z P:y P:y P:z P:z P:z P:x P:x P:x P:y P:x P:x P:y P:x P:y P:y P:z P:z P:z P:z P:x P:z P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">51 26 25 44 58 20 3 25 19 51 51 1 2 22 32 19 39 39 44 45 13 22 18 6 1</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">O O O O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">13.263</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="26">26.13 9.09 3.56 3.10 2.81 2.73 2.70 2.51 2.22 2.01 1.90 1.73 1.64 1.60 1.60 1.55 1.54 1.44 1.42 1.33 1.33 1.20 1.17 1.15 1.05 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">P:z P:z P:z P:x P:x P:z P:y P:z P:z P:z P:y P:y P:z P:y P:z P:x P:y P:y P:x P:z P:z P:x P:x P:y P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">58 39 18 6 22 6 1 60 44 5 25 60 1 26 20 5 23 5 18 23 12 19 24 53 24 10</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">13.286</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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">11.85 8.59 7.03 6.84 6.81 5.70 5.61 5.11 3.68 3.15 3.08 2.80 2.48 2.39 2.05 1.79 1.32 1.25 1.17 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">P:x P:y P:z P:y P:x P:x P:z P:x P:y P:y P:x P:z P:x P:y P:x P:z P:z P:x P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">18 10 10 33 15 10 18 14 12 16 12 29 31 31 16 56 49 8 47 58</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">13.403</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">321</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">16.60 8.58 8.19 5.62 5.62 4.50 4.04 3.89 2.30 2.28 2.08 2.04 1.93 1.68 1.65 1.59 1.49 1.42 1.31 1.12 1.06 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">P:z P:y P:z P:z P:z P:z P:y P:z P:x P:x P:z P:x P:y P:z P:z P:z P:y P:x P:y P:x P:y P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">39 1 58 18 15 12 26 10 15 1 44 26 23 20 23 24 12 24 44 22 51 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">O O O O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">13.516</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="16">21.36 20.32 7.00 5.26 4.59 3.87 3.21 2.88 2.52 2.46 2.40 1.78 1.61 1.55 1.46 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="16">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="16">P:y P:z P:z P:y P:x P:z P:x P:z P:x P:y P:x P:y P:z P:y P:z P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="16"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="16">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="16">1 39 1 26 1 26 26 51 20 23 24 51 23 44 24 43</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">13.623</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="19">42.63 7.88 5.22 3.66 3.10 2.50 2.32 2.15 2.12 2.11 1.93 1.69 1.67 1.52 1.33 1.27 1.20 1.18 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">P:z P:z P:y P:y P:x P:z P:z P:y P:y P:x P:x P:z P:z P:z P:x P:x P:x P:z P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">1 17 26 1 22 22 20 25 51 26 1 18 51 10 43 25 19 26 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">O O O O O O O O O O O O O O O O O O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">13.660</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">2.00</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="10">16.66 14.73 13.12 10.09 8.51 7.51 7.19 2.73 1.71 1.59</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:z P:z P:x P:z P:z P:y P:x P:x P:x P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="10"
                               units="nonsi:electronvolt">-10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="10">1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="10">12 15 15 10 18 12 12 18 10 10</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">17.564</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">9.01 6.46 5.56 4.61 4.59 3.85 3.56 3.38 3.03 2.65 2.18 2.08 1.98 1.80 1.60 1.57 1.47 1.43 1.37 1.22 1.11 1.07 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:xz D:xz D:yz D:yz D:yz D:yz D:yz P:x D:yz D:yz D:xz D:xz D:xz D:yz D:xz P:y P:y P:y D:xz D:xz D:xz P:y P:x D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">81 73 72 70 74 69 75 42 80 76 70 64 75 65 69 36 28 4 63 80 72 7 25 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W O W W W W W W W O O O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">17.781</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">326</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">7.28 7.14 5.51 4.69 3.65 3.61 3.51 3.26 2.92 2.65 2.62 1.92 1.82 1.36 1.34 1.31 1.21 1.20 1.17 1.11 1.09 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:yz D:yz D:yz D:yz D:yz D:yz D:yz D:xz D:xz D:yz P:z P:z D:xz D:xy P:z D:xy P:y D:xz P:y D:xz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">75 69 72 74 70 76 80 75 69 65 50 41 81 79 30 67 4 73 28 72 80 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W O O W W O W O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">17.904</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">9.52 8.66 8.36 6.78 6.13 3.65 3.17 2.84 1.95 1.88 1.87 1.64 1.42 1.38 1.30 1.27 1.24 1.07 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">D:xz D:xz D:yz D:xz D:yz D:xz P:z D:xz P:x D:xz D:x2-y2 P:z P:x D:xz P:x P:z D:x2-y2 D:z2 D:yz P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 63 65 81 76 73 48 65 25 76 66 21 2 66 42 54 77 66 72 4</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W O W O W 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">18.409</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">7.81 7.29 3.73 3.45 3.28 3.22 3.09 2.91 2.78 2.58 2.53 1.78 1.77 1.73 1.68 1.60 1.58 1.51 1.42 1.41 1.40 1.40 1.23 1.21 1.19 1.16 1.09 1.06 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:xy D:xy D:z2 D:yz D:x2-y2 P:x D:yz D:x2-y2 D:xz D:yz D:x2-y2 D:z2 P:y D:yz P:x D:z2 D:xz D:xy D:yz D:xz D:yz D:z2 D:yz D:xz D:xz D:x2-y2 D:xz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027</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 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 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">68 79 68 79 66 53 68 77 63 75 68 67 5 76 24 79 68 67 65 66 69 77 80 77 69 79 64 67 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W O W W W W W W O W O W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.503</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">8.97 5.54 5.47 4.22 3.85 3.40 2.92 2.88 2.74 2.22 2.14 1.85 1.73 1.58 1.52 1.50 1.46 1.38 1.27 1.18 1.05 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:xy D:xz D:xz D:z2 D:x2-y2 P:x D:xy D:yz D:yz D:yz D:xz D:xz D:z2 D:yz D:xz D:yz P:x P:y P:y D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">66 67 73 66 66 67 6 78 72 70 75 67 70 78 74 75 67 33 14 11 77 48</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W O W W W W W W W W W W O O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.585</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.59 5.01 4.59 3.51 3.31 2.65 2.57 2.34 2.13 2.12 2.00 1.88 1.78 1.78 1.77 1.68 1.67 1.61 1.60 1.50 1.15 1.11 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xz D:xy D:xy D:yz D:yz D:yz D:x2-y2 D:xz D:xz P:z D:z2 D:z2 P:z D:x2-y2 D:xz D:yz P:z D:yz D:xz D:yz D:xz P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">81 79 68 69 75 74 77 74 72 49 66 65 55 66 63 65 34 68 75 79 77 13 57</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O W W O W W W O W W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">331</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.12 5.70 4.43 3.50 3.35 3.00 2.77 2.66 2.45 2.35 2.30 2.10 2.07 1.93 1.86 1.77 1.75 1.70 1.40 1.37 1.22 1.19 1.14 1.13 1.13 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:yz D:x2-y2 P:z D:xz P:z D:xy D:x2-y2 D:xy D:z2 D:x2-y2 D:xz P:x P:x D:xy D:x2-y2 D:yz D:xy P:y D:x2-y2 D:yz D:z2 D:xz P:y D:xz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">75 69 70 49 81 55 81 69 66 79 79 69 59 40 72 68 75 68 62 67 74 69 63 56 65 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W O W O W W W W W W O O W W W W O W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.673</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">10.24 9.92 4.75 4.50 3.98 3.88 3.12 2.55 2.53 2.40 1.79 1.62 1.35 1.29 1.27 1.21 1.19 1.18 1.18 1.07 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:xy D:x2-y2 D:xz P:x D:xy D:yz P:y D:x2-y2 D:x2-y2 P:y P:z P:z D:z2 D:xz D:z2 D:x2-y2 D:yz D:yz D:x2-y2 D:yz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">81 70 65 40 72 81 56 69 72 47 40 57 81 76 65 65 64 76 67 73 66 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W O W W O W W O O O W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.685</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">5.61 4.96 3.76 3.32 3.23 2.60 2.57 2.50 2.40 2.05 1.95 1.84 1.81 1.78 1.74 1.71 1.61 1.37 1.37 1.34 1.26 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:x2-y2 D:xz D:xz D:x2-y2 D:yz D:z2 D:z2 D:xz P:z P:y D:xy D:z2 D:yz P:z D:xz D:x2-y2 D:xy P:z D:xz D:x2-y2 D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">69 69 74 64 75 68 71 75 49 55 71 67 64 55 65 70 81 27 72 77 71 52</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W O O W W W O W W W O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.741</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">5.69 4.71 3.36 3.11 2.60 2.50 2.46 2.08 1.93 1.82 1.51 1.41 1.34 1.34 1.33 1.31 1.29 1.27 1.18 1.15 1.14 1.09 1.08 1.08 1.04 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:xz D:yz D:z2 D:xz D:yz P:z D:xz D:xy P:z D:xz P:z P:z D:z2 D:yz D:yz D:z2 D:xz D:x2-y2 D:xy P:z D:z2 D:z2 D:yz D:xz D:z2 D:x2-y2 D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">65 81 66 74 73 40 76 72 27 72 57 29 81 64 63 74 63 70 68 47 63 71 70 75 77 73 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W O W W O W O O W W W W W W W O W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.785</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">335</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">5.41 4.53 3.91 3.87 3.06 2.93 2.44 2.20 1.83 1.81 1.70 1.69 1.52 1.47 1.41 1.40 1.37 1.29 1.24 1.23 1.22 1.20 1.18 1.07 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:z2 D:x2-y2 D:xy D:xz D:yz D:xz D:z2 P:z D:z2 P:z D:x2-y2 D:yz D:yz D:xz D:z2 D:xz P:z P:x P:y D:yz P:z D:xz D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">80 66 77 78 72 74 69 68 37 77 47 71 65 78 77 71 64 21 32 22 70 8 73 69 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W O W O W W W W W W O O O W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.827</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">336</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.28 4.09 3.42 3.41 2.91 2.49 2.42 1.97 1.94 1.84 1.68 1.51 1.43 1.39 1.36 1.20 1.20 1.20 1.16 1.15 1.14 1.13 1.12 1.09 1.07 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:yz D:z2 D:yz D:z2 D:x2-y2 D:yz D:xz D:xz P:z P:z D:xz D:yz D:x2-y2 D:x2-y2 D:xz D:z2 P:z D:x2-y2 D:xy P:y P:z D:z2 D:x2-y2 D:xy D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">73 78 81 67 69 64 74 80 40 29 63 65 68 64 72 65 27 71 77 61 52 68 77 66 66 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W O O W W W W W W O W W O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.857</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">337</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.13 4.29 4.04 3.37 2.96 2.87 2.61 2.22 2.15 2.09 2.05 1.87 1.83 1.81 1.79 1.78 1.73 1.60 1.40 1.39 1.22 1.11 1.10 1.07 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:xy D:xy D:xy D:yz P:y D:z2 D:x2-y2 D:x2-y2 D:xy P:y D:xz D:xy D:xz D:x2-y2 D:yz D:xy D:x2-y2 D:z2 D:xy D:yz P:z D:yz D:yz P:z P:z D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317</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 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">72 66 65 73 47 79 69 68 67 62 65 71 72 72 66 78 64 78 81 69 29 74 64 57 52 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O W W W W O W W W W W W W W W W O W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.912</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.52 4.72 4.43 4.15 3.82 3.53 2.87 2.75 2.47 2.30 2.30 2.28 2.26 1.85 1.84 1.58 1.55 1.27 1.24 1.19 1.17 1.11 1.08</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz P:z D:z2 D:x2-y2 D:xz D:xz D:xy D:yz D:yz D:xy P:x P:z D:x2-y2 D:x2-y2 D:x2-y2 D:xz P:x D:yz D:x2-y2 D:z2 P:x P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">80 35 80 75 70 80 78 70 74 63 38 56 80 66 67 65 51 78 78 78 61 49 78</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W O W W W W W W W W O O W W W W O W W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.941</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">339</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">6.24 5.36 4.46 4.20 4.04 3.28 2.81 2.62 2.49 2.42 2.24 2.04 1.95 1.70 1.69 1.60 1.56 1.42 1.36 1.26 1.24 1.22 1.12 1.12 1.11 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:x2-y2 D:xy D:xy D:x2-y2 D:xy D:xz D:xy P:x P:y D:x2-y2 P:y D:z2 P:x P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 P:z D:yz D:yz D:x2-y2 D:z2 D:xz P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">75 76 73 80 74 80 63 29 20 74 27 80 51 49 35 63 76 67 69 35 70 81 73 79 75 49</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W O O W O W O O O W W W W O W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">18.983</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="32">5.56 5.51 4.53 3.53 3.50 3.45 3.04 2.95 2.48 2.14 2.01 1.93 1.45 1.41 1.36 1.26 1.26 1.25 1.23 1.23 1.18 1.18 1.17 1.12 1.12 1.07 1.06 1.04 1.04 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="32">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="32">D:yz D:x2-y2 D:xz D:yz D:xz D:xz D:yz D:yz D:xz D:yz P:x D:xz D:xz P:y P:y P:x P:x D:yz D:xz D:xz D:xy D:xy P:y P:z P:y P:y D:x2-y2 D:xz D:yz P:y D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="32"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="32">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 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="32">65 79 81 74 63 74 80 75 79 63 33 73 64 45 19 2 45 70 76 65 77 63 14 51 16 31 78 80 69 4 75 42</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="32">W W W W W W W W W W O W W O O O O W W W W W O O O O W W W O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.014</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">341</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">2.99 2.97 2.80 2.57 2.50 2.31 2.25 2.23 2.19 2.19 2.16 1.82 1.76 1.71 1.68 1.60 1.48 1.39 1.36 1.35 1.31 1.27 1.25 1.25 1.24 1.21</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:x2-y2 D:z2 D:yz D:yz D:xy D:xy P:x D:yz D:x2-y2 D:z2 D:z2 P:x D:yz P:z D:yz P:y D:x2-y2 D:x2-y2 D:z2 D:xy D:x2-y2 D:xz D:xz P:z D:xy D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317</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 1.33 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">79 71 70 74 77 68 59 65 77 74 68 45 69 27 77 43 75 68 77 66 70 75 74 55 65 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W W W W O W O W O W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.036</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">7.21 3.71 3.23 2.55 2.53 2.11 2.04 1.96 1.89 1.69 1.59 1.51 1.29 1.25 1.10 1.08 1.06 1.04 1.03 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:xz D:xy D:x2-y2 D:z2 D:x2-y2 D:z2 D:xy D:xy D:xz D:x2-y2 P:x P:z D:yz D:xy D:xz P:z D:xy D:x2-y2 D:xz P:x D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317</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 1.33 1.33 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">71 70 81 78 66 69 67 71 74 72 81 40 56 73 73 78 15 64 66 80 15 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W O O W W W O W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.058</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">3.50 3.44 3.36 3.31 2.48 2.17 2.14 2.12 1.95 1.95 1.89 1.80 1.76 1.65 1.59 1.47 1.45 1.35 1.27 1.22 1.21 1.14 1.10 1.08 1.06 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">D:yz D:xz D:xy D:z2 D:xy D:yz D:yz D:x2-y2 D:xz D:x2-y2 D:x2-y2 P:y D:z2 P:z D:yz D:xz D:z2 D:x2-y2 D:x2-y2 D:z2 D:xz D:xz D:z2 P:y P:y D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317</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 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="27">63 64 66 77 76 76 66 66 74 79 69 62 71 51 72 80 67 70 67 79 70 79 65 45 19 72 74</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 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">19.101</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">344</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">10.78 8.32 7.59 4.16 3.21 2.52 2.39 1.93 1.88 1.80 1.74 1.69 1.65 1.62 1.44 1.42 1.29 1.28 1.17 1.16 1.08 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:yz D:xy D:x2-y2 P:z P:x P:y D:z2 D:xy D:z2 D:x2-y2 D:xy P:y D:xz P:x P:y D:z2 D:x2-y2 D:xz D:yz D:yz D:z2 P:y D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">69 64 64 68 52 52 55 64 72 71 67 81 59 72 8 2 66 65 65 73 81 68 57 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W O O O W W W W W O W O O W W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.152</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">4.88 2.86 2.66 2.57 2.35 2.33 2.27 2.25 1.92 1.90 1.78 1.78 1.67 1.60 1.56 1.50 1.25 1.15 1.13 1.13 1.11 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy D:x2-y2 D:xy D:x2-y2 D:xy D:xy D:x2-y2 D:x2-y2 D:xz D:x2-y2 D:yz D:xy D:x2-y2 D:yz D:x2-y2 P:x D:x2-y2 D:xy P:x D:xz D:yz P:y P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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">81 78 74 70 79 72 69 71 65 64 80 73 75 73 72 40 66 76 8 69 64 47 34</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W O W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.214</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">5.43 5.33 3.04 2.90 2.80 2.61 2.58 1.89 1.75 1.75 1.70 1.48 1.29 1.27 1.21 1.20 1.17 1.12 1.12 1.11 1.09 1.06 1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:yz D:xz D:x2-y2 D:x2-y2 D:xy D:z2 D:z2 P:y D:x2-y2 D:xy D:xz D:xz D:yz D:xz D:xy D:xy D:xz D:yz P:y D:yz D:xz D:xz P:y P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">69 80 67 66 67 76 78 79 36 80 64 74 66 72 81 73 78 63 65 20 73 79 69 16 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W O W W W W W W W W W W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.236</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">347</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">9.40 4.86 3.49 3.12 2.92 2.68 2.47 2.20 2.11 2.09 1.97 1.86 1.82 1.51 1.40 1.23 1.21 1.12 1.10 1.09 1.09 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 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xy D:xy D:x2-y2 D:xy D:xy D:x2-y2 D:xz D:xy P:y D:x2-y2 D:xy P:y D:yz D:z2 D:x2-y2 P:y D:xz D:yz P:x P:x D:x2-y2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -10.027 4.748 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">75 74 72 70 76 65 74 81 63 27 79 71 49 72 68 72 47 64 71 51 49 75 20</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W O W W O W W W O W W O O W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.302</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">348</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">6.98 3.16 2.76 2.13 2.11 2.11 2.08 2.00 1.94 1.93 1.92 1.73 1.65 1.57 1.54 1.44 1.42 1.33 1.26 1.25 1.24 1.22 1.13 1.10 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">D:xy D:yz D:xz D:xz D:xz D:x2-y2 D:z2 D:z2 D:x2-y2 D:xz D:xz D:yz P:x D:x2-y2 D:z2 P:x D:z2 P:z D:yz D:xz P:y D:yz D:z2 D:yz D:xy D:yz D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">68 68 72 63 79 79 69 66 72 69 75 74 59 77 74 16 75 47 77 70 7 69 72 64 77 66 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W O W W O W O W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.333</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="21">4.47 4.37 3.10 2.58 2.57 2.45 2.40 2.14 2.00 1.99 1.59 1.47 1.40 1.35 1.21 1.20 1.16 1.15 1.13 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:x2-y2 D:xy D:x2-y2 D:xz D:z2 D:yz D:xz P:x D:xz D:x2-y2 P:y D:xy P:x D:x2-y2 D:xy D:yz D:z2 P:y D:x2-y2 D:x2-y2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">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 0.80 0.80 1.33 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">80 78 79 70 67 78 79 38 78 67 45 73 61 73 76 69 79 35 78 66 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W W W W W O W W O W O W W W W O W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.341</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">5.87 4.21 4.04 3.67 2.97 2.28 2.15 1.95 1.83 1.77 1.74 1.60 1.57 1.56 1.55 1.39 1.39 1.30 1.30 1.14 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:xz D:x2-y2 D:yz D:xz D:xz D:yz D:xy P:z D:xy D:xz D:yz D:xy D:xy D:x2-y2 D:yz D:yz D:z2 P:z D:xz D:xy P:z D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317</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 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">81 68 70 74 63 75 66 60 77 64 69 71 79 79 71 79 66 41 68 69 34 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W O W W W W W W W W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.365</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">351</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">5.83 5.04 2.61 2.39 2.20 2.12 1.86 1.78 1.78 1.71 1.67 1.63 1.59 1.58 1.54 1.48 1.41 1.40 1.35 1.33 1.26 1.26 1.26 1.24 1.18 1.17 1.10 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz D:x2-y2 D:xy D:xz D:x2-y2 D:xy D:xy D:xz D:x2-y2 D:xz D:yz P:x D:xz P:x D:z2 D:xz P:z D:x2-y2 D:xy D:x2-y2 P:y D:xy D:xz D:yz P:y D:z2 D:xz D:yz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 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 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">72 80 73 73 65 67 66 70 67 76 65 29 63 6 67 72 34 68 64 69 35 76 68 66 57 63 81 73 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W O W O W W O 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">19.433</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">6.46 4.22 3.99 2.87 2.05 2.04 1.98 1.91 1.86 1.78 1.78 1.73 1.70 1.54 1.44 1.43 1.43 1.33 1.29 1.23 1.18 1.09 1.04 1.04 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xz D:xy D:x2-y2 D:yz D:yz D:z2 P:x D:x2-y2 D:x2-y2 D:yz D:yz D:yz D:xy D:xz P:x D:xy D:x2-y2 D:xy D:z2 D:xz P:z D:xz P:z P:z D:xy P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 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 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">63 67 80 70 67 79 61 67 78 73 65 69 76 69 25 74 77 73 77 67 8 73 6 26 72 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W W W W W W W O 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">19.439</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">4.72 3.19 2.92 2.87 2.52 2.49 2.24 2.03 2.01 1.95 1.48 1.45 1.41 1.35 1.35 1.35 1.30 1.22 1.17 1.17 1.14 1.13 1.12 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:yz D:xy D:xy D:x2-y2 D:z2 D:xy D:xy D:yz D:xy D:x2-y2 D:yz D:z2 D:x2-y2 D:yz D:xy P:z P:x D:xy D:xz D:xz D:yz D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">78 71 71 68 75 71 77 73 78 67 73 70 67 80 75 63 12 29 74 71 81 72 78 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W O O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.520</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">354</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.65 3.86 3.01 2.50 2.46 2.38 2.21 2.09 1.93 1.82 1.75 1.71 1.63 1.54 1.51 1.46 1.39 1.27 1.19 1.18 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:yz D:xy P:z D:xz D:xy D:yz D:yz D:x2-y2 D:xz D:x2-y2 D:yz D:x2-y2 D:xz D:x2-y2 D:z2 P:y D:x2-y2 D:xy D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="21">0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">80 80 66 37 76 78 65 66 77 75 71 75 75 65 65 77 62 68 68 79 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="21">W W W O W W W W W W W W W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.538</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">355</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="22">6.48 6.09 3.31 3.09 2.88 2.67 2.23 2.18 2.15 1.94 1.91 1.86 1.84 1.69 1.64 1.39 1.31 1.31 1.27 1.15 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">D:yz D:yz D:yz D:x2-y2 D:yz D:yz D:xy D:z2 D:yz D:z2 P:y D:xz D:xz D:x2-y2 P:y D:xy D:xz D:x2-y2 D:xz P:y P:y D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317</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 0.80 0.80 1.33 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">76 72 75 77 70 73 67 78 74 67 14 73 70 71 19 79 75 65 77 22 9 66</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 W W O O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.588</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">356</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">14.06 9.37 3.82 3.14 2.49 2.41 1.97 1.86 1.83 1.71 1.68 1.66 1.49 1.47 1.45 1.33 1.29 1.11 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">D:xz D:xz P:x D:z2 D:xz D:x2-y2 P:x D:xy D:yz P:z D:yz P:z P:y D:xz D:xy P:z P:y P:y D:z2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.80 0.80 1.33 0.80 0.80 0.80 1.33 0.80 0.80 1.33 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">64 73 2 77 76 77 33 79 75 54 79 3 44 70 67 13 22 46 71 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W O W W W O W W O W O O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.614</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">357</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">4.66 4.01 3.40 2.44 2.30 2.26 2.20 2.09 2.05 2.03 1.88 1.82 1.79 1.73 1.39 1.35 1.31 1.16 1.11 1.07 1.04 1.03 1.03 1.03 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:x2-y2 D:yz D:xz D:xz D:z2 D:yz P:x D:xz D:x2-y2 D:xz D:x2-y2 D:xz S D:z2 D:xy D:xy D:yz D:z2 P:z D:z2 P:z D:xy D:xy D:yz D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.00 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</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">78 76 70 75 77 74 32 80 79 78 68 64 78 78 78 66 71 66 23 67 21 73 71 66 69 24</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W O W W W W W W W W W W 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">19.657</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="18">6.12 5.15 4.59 4.52 4.06 3.49 3.44 2.61 2.53 1.86 1.78 1.78 1.43 1.34 1.25 1.13 1.10 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:x2-y2 D:xy D:x2-y2 D:x2-y2 D:z2 D:xz D:x2-y2 D:xy D:yz D:x2-y2 P:y D:xz P:x D:yz P:x P:x D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -10.027 -10.027 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 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">71 64 65 66 68 76 72 71 76 69 57 66 17 70 11 52 77 26</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W W W W 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">19.791</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">5.28 4.04 4.03 3.51 2.34 2.22 2.22 2.06 1.87 1.80 1.67 1.63 1.55 1.54 1.44 1.43 1.36 1.27 1.23 1.16 1.06 1.05 1.05 1.04 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:xy D:z2 D:yz D:yz P:z D:xy D:xy D:z2 D:yz D:x2-y2 P:y D:xz D:xz D:xz D:z2 S D:xz D:yz D:x2-y2 D:xz P:y D:xz D:xy S D:x2-y2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 1.721 -4.317 -10.027</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 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">77 71 80 71 17 67 78 66 77 65 43 65 69 73 79 65 70 66 80 78 36 71 66 64 67 18</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W O W W W W W O W W W W W W W W W O W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.816</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">6.26 3.65 3.20 3.15 2.75 2.75 2.69 2.34 1.81 1.68 1.53 1.52 1.46 1.40 1.37 1.33 1.22 1.21 1.18 1.18 1.15 1.11 1.10 1.07 1.07 1.03 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:z2 D:xz D:xy D:z2 D:xz D:yz D:z2 D:x2-y2 D:xz P:x P:x D:yz D:xy P:y P:z D:xy D:yz D:x2-y2 P:x P:x D:x2-y2 P:z P:x D:z2 D:z2 D:yz D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">79 77 74 77 66 72 71 68 69 69 28 45 77 79 43 27 68 69 68 46 59 79 17 7 74 69 74 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O O W W O O W W W 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">19.851</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">361</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">7.11 3.36 2.76 2.56 2.17 1.92 1.92 1.91 1.88 1.77 1.77 1.65 1.61 1.59 1.54 1.43 1.42 1.42 1.35 1.33 1.21 1.15 1.14 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:yz D:z2 D:yz D:yz D:z2 D:xy D:x2-y2 D:xy D:xy D:xy D:yz D:xz D:x2-y2 P:z D:x2-y2 P:x D:x2-y2 D:xy P:z D:xz D:z2 P:z D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 1.33 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">65 64 71 63 66 78 72 80 71 64 66 81 64 75 17 67 4 78 73 57 67 67 51 72 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W 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">19.969</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">362</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="19">4.59 3.64 3.23 2.95 2.73 2.35 2.27 2.10 2.09 1.71 1.65 1.52 1.47 1.39 1.24 1.20 1.17 1.15 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 D:x2-y2 D:yz D:z2 D:yz D:x2-y2 D:z2 D:yz D:x2-y2 D:yz D:z2 D:yz D:x2-y2 D:yz D:x2-y2 D:z2 P:x D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">81 71 80 67 72 77 78 75 70 69 77 63 66 65 68 71 40 68 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">19.995</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">5.29 4.45 3.64 3.36 3.19 2.58 -2.55 2.50 2.35 2.04 1.86 1.81 1.67 1.61 1.57 1.54 1.41 1.37 1.36 1.34 1.32 1.28 1.27 1.13 1.13 1.11 1.11 1.00 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 3 3 1 1 1 3 1 3 2 1 2 1 1 1 1 1 3 1 1 1 3 1 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:yz S S D:x2-y2 D:xy D:xy S D:z2 S S D:xz S P:z D:z2 D:z2 D:x2-y2 D:xz S P:y P:y D:z2 S D:x2-y2 D:z2 S D:x2-y2 D:x2-y2 D:z2 D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.317 1.721 1.721 -4.317 -4.317 -4.317 1.721 -4.317 1.721 -6.431 -4.317 -6.431 -10.027 -4.317 -4.317 -4.317 -4.317 1.721 -10.027 -10.027 -4.317 1.721 -4.317 -4.317 -6.431 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.00 0.00 0.80 0.80 0.80 0.00 0.80 0.00 2.00 0.80 2.00 1.33 0.80 0.80 0.80 0.80 0.00 1.33 1.33 0.80 0.00 0.80 0.80 2.00 0.80 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">81 65 64 70 73 81 71 71 68 64 76 65 40 67 68 80 65 73 42 41 78 76 78 81 73 67 68 66 77</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W O W W W W W O O W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.023</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="26">4.25 4.15 3.09 2.90 2.53 2.53 2.34 2.12 1.88 1.79 1.69 1.56 1.53 1.47 1.37 1.35 1.34 1.28 1.28 1.26 1.19 1.16 1.16 1.15 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">D:z2 D:z2 D:z2 D:x2-y2 D:x2-y2 P:x D:xy D:yz D:x2-y2 D:xz S D:x2-y2 D:xz D:xz P:x D:xy D:xz D:yz D:xy D:yz P:y D:xz D:xz D:xy P:x P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">79 67 68 71 67 61 67 70 78 69 66 70 67 80 9 71 78 66 66 67 9 70 72 79 38 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W O W W W W W W W W O W W W W W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.047</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">365</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">4.99 4.58 3.04 2.96 2.71 2.17 1.85 1.78 1.75 1.42 1.37 1.35 1.30 1.24 1.11 1.09 1.09 1.06 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 2 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:x2-y2 D:x2-y2 D:xy D:xy D:x2-y2 D:yz D:xz D:xz D:xz S D:yz D:xz D:yz P:x P:y D:xy D:yz D:xy D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -6.431 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317</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 2.00 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="21">71 70 69 71 76 77 66 72 81 76 72 64 74 63 75 17 41 79 77 68 65</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 O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.061</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">366</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">4.19 2.88 2.51 2.51 2.41 2.40 2.37 2.37 2.19 2.05 1.98 1.95 1.56 1.52 1.36 1.31 1.29 1.24 1.18 1.13 1.13 1.12 1.12 1.07 1.07 1.07 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 3 1 1 1 1 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:z2 D:yz D:x2-y2 D:x2-y2 D:z2 D:xz D:yz D:z2 D:yz D:xz S D:yz D:xz D:xz D:xz D:x2-y2 P:y P:y D:xz S P:y P:x D:z2 D:xy D:yz S D:xz D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 1.721 -10.027 -10.027 -4.317 -4.317 -4.317 -6.431 -4.317 -4.317</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 0.00 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.00 1.33 1.33 0.80 0.80 0.80 2.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">66 64 78 68 78 72 74 77 75 68 72 81 67 73 64 67 53 38 78 65 32 11 68 81 76 72 74 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W O O 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">20.112</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">5.29 4.55 3.89 -3.86 -3.15 2.85 2.79 2.55 2.10 1.81 1.74 1.67 1.61 1.60 1.52 1.52 1.51 1.50 1.43 1.40 1.33 1.30 1.29 1.26 1.21 1.20 1.07 1.05 1.02 1.00</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 3 2 3 1 3 1 1 1 1 1 1 3 1 1 1 3 3 1 1 1 3 1 1 3 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xz D:xz D:xz S S S D:yz S D:z2 D:xy D:xy D:x2-y2 D:yz P:x S D:xz D:yz P:x S S P:x D:yz D:yz S D:yz D:yz S D:yz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 1.721 -6.431 1.721 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 1.721 -4.317 -4.317 -10.027 1.721 1.721 -10.027 -4.317 -4.317 1.721 -4.317 -4.317 1.721 -4.317 1.721 1.721</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.00 2.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 1.33 0.00 0.80 0.80 1.33 0.00 0.00 1.33 0.80 0.80 0.00 0.80 0.80 0.00 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 64 63 71 71 67 69 66 77 78 68 78 75 32 64 81 80 2 63 79 33 78 64 73 70 65 75 77 65 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W O W W W O W W O W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.149</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">5.22 4.99 3.27 3.09 2.84 2.68 2.45 2.07 1.69 1.53 1.51 1.50 1.44 1.37 1.37 1.32 -1.30 1.27 1.22 1.21 1.18 1.14 -1.09 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 3 1 1 1 1 3 1 1 1 1 1 1 3 1 1 1 1 1 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:yz D:x2-y2 D:xz D:yz S D:xz D:xy D:x2-y2 D:xz S D:xy D:yz D:yz D:xy D:xy D:x2-y2 S P:x D:xz P:y D:xy D:xz S D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -10.027 -4.317 -10.027 -4.317 -4.317 -6.431 -4.317 -6.431</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 0.80 1.33 0.80 0.80 2.00 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">76 77 81 70 66 70 67 71 77 70 79 69 73 68 78 65 71 22 80 19 77 63 71 69 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W W O W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.159</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">369</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="33">-14.16 9.34 7.84 7.64 5.81 5.57 4.78 -3.99 3.78 3.33 3.20 2.70 2.67 2.55 2.53 2.51 2.33 2.20 2.20 2.09 2.03 1.93 1.77 1.72 1.60 1.59 1.56 1.51 1.40 1.18 1.11 1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="33">3 3 3 3 3 3 3 2 3 3 3 2 2 1 3 3 3 1 3 2 3 1 2 1 1 2 3 2 3 1 1 2 4</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="33">S S S S S S S S S S S S S D:yz S S S D:xy S S S P:z S D:x2-y2 D:yz S S S S D:z2 D:xy S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="33"
                               units="nonsi:electronvolt">1.721 1.721 1.721 1.721 1.721 1.721 1.721 -6.431 1.721 1.721 1.721 -6.431 -6.431 -4.317 1.721 1.721 1.721 -4.317 1.721 -6.431 1.721 -10.027 -6.431 -4.317 -4.317 -6.431 1.721 -6.431 1.721 -4.317 -4.317 -6.431 16.447</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="33">0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.80 0.00 0.00 0.00 0.80 0.00 2.00 0.00 1.33 2.00 0.80 0.80 2.00 0.00 2.00 0.00 0.80 0.80 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="33">71 68 65 66 67 64 75 71 74 70 81 75 65 71 69 72 76 73 79 74 73 17 70 80 69 64 77 81 80 71 71 68 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="33">W W W W W W W W W W W W W W W W W W W W W O 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">20.185</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">7.85 6.82 5.94 3.09 2.41 2.16 2.00 1.94 1.92 1.85 1.78 1.78 1.71 1.69 1.68 1.56 1.43 1.40 1.32 1.24 1.13 1.11 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 1 1 1 1 3 1 1 3 1 1 2 1 1 1 1 2 1 1 1 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:x2-y2 D:xy D:z2 D:yz P:y S P:x D:x2-y2 S D:xy D:xy D:x2-y2 P:z D:xz D:z2 D:z2 D:xy P:y D:x2-y2 P:z D:yz D:yz S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -10.027 1.721 -10.027 -4.317 1.721 -4.317 -4.317 4.748 -10.027 -4.317 -4.317 -4.317 4.748 -10.027 -4.317 -10.027 -4.317 -4.317 -6.431</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 1.33 0.00 1.33 0.80 0.00 0.80 0.80 0.00 1.33 0.80 0.80 0.80 0.00 1.33 0.80 1.33 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">70 81 71 63 41 69 40 71 72 67 77 70 58 74 67 68 81 56 68 18 71 80 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W O W O W W W W W O W W 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">20.267</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">3.28 2.34 2.24 1.85 1.75 1.66 1.58 1.56 1.48 1.46 1.44 1.42 1.40 1.38 1.23 1.22 1.20 1.19 1.18 1.18 1.16 1.13 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S D:xy D:yz D:x2-y2 D:z2 S D:x2-y2 D:xy D:yz D:yz D:z2 D:xy D:xy D:yz D:x2-y2 D:xz D:z2 D:xz S D:yz D:xy D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.721 1.721 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">77 78 76 63 78 79 79 68 67 75 72 65 81 77 65 64 74 66 72 68 81 79 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.313</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">9.18 5.45 4.75 4.52 4.33 3.38 2.83 2.81 2.71 2.48 2.20 2.10 2.00 1.98 1.70 1.51 1.42 1.38 1.35 1.35 1.20 1.19 1.17 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 3 1 1 3 1 1 1 3 1 1 1 1 1 1 2 1 2 3 2 3 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:xy S D:xy D:x2-y2 S D:x2-y2 P:x P:y S D:yz D:x2-y2 D:xy P:x P:y P:y S P:y D:x2-y2 S S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.317 -4.317 1.721 -4.317 -4.317 1.721 -4.317 -10.027 -10.027 1.721 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -6.431 -10.027 4.748 1.721 -6.431 1.721 1.721 4.748</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.00 0.80 0.80 0.00 0.80 1.33 1.33 0.00 0.80 0.80 0.80 1.33 1.33 1.33 2.00 1.33 0.00 0.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">75 76 79 74 80 78 74 21 50 73 80 76 63 37 49 20 73 27 75 65 79 63 69 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W O O W W W W O O 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">20.354</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">5.47 5.35 4.53 3.85 2.69 2.52 2.26 2.20 2.19 2.13 2.06 1.77 1.77 1.55 1.42 1.36 1.35 1.34 1.18 1.16 1.09 1.09 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 1 1 1 3 1 3 1 1 2 1 2 1 1 2 3 1 1 1 3 3 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S D:xz D:xz D:z2 S D:z2 S D:z2 D:x2-y2 S P:x S D:yz D:z2 S S D:xz P:x D:x2-y2 S S S D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.721 -4.317 -4.317 -4.317 1.721 -4.317 1.721 -4.317 -4.317 -6.431 -10.027 -6.431 -4.317 -4.317 -6.431 1.721 -4.317 -10.027 -4.317 1.721 1.721 -6.431 4.748</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.80 0.80 0.80 0.00 0.80 0.00 0.80 0.80 2.00 1.33 2.00 0.80 0.80 2.00 0.00 0.80 1.33 0.80 0.00 0.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">67 69 75 79 79 68 66 77 71 67 16 79 63 78 65 65 80 46 65 73 64 68 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W O W W W W W W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">10.79 5.45 4.18 3.59 2.90 2.69 2.52 2.16 1.70 1.68 1.66 1.61 1.55 1.46 1.44 1.40 1.36 1.35 1.30 1.29 1.26 1.22 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">1 3 1 3 1 1 1 1 1 2 3 1 1 1 1 3 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:xy S D:x2-y2 S D:xy D:xy P:x D:xy D:xz D:xy S D:yz P:y D:x2-y2 D:yz S D:x2-y2 D:x2-y2 P:y D:yz P:x D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 1.721 -4.317 1.721 -4.317 -4.317 -10.027 -4.317 -4.317 4.748 1.721 -4.317 -10.027 -4.317 -4.317 1.721 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.00 0.80 0.00 0.80 0.80 1.33 0.80 0.80 0.00 0.00 0.80 1.33 0.80 0.80 0.00 0.80 0.80 1.33 0.80 1.33 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">73 67 80 66 64 63 29 74 76 73 68 74 13 65 72 64 63 74 30 65 30 76 71</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W O 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">20.418</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">375</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">9.09 5.54 5.26 5.06 3.02 2.89 2.47 2.39 2.04 1.96 1.80 1.71 1.63 1.43 1.29 1.29 1.25 1.22 1.11 1.07 1.07 1.06 1.05 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 1 2 1 2 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S D:z2 S D:xy S S D:x2-y2 D:yz D:xz D:z2 D:yz D:z2 D:xz D:yz D:z2 D:xz D:x2-y2 D:yz D:xy D:yz D:x2-y2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 1.721 -4.317 -6.431 -4.317 -6.431 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.80 2.00 0.80 2.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">66 78 78 66 63 78 80 75 74 80 77 76 67 76 64 76 70 63 73 65 81 71 80 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.437</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">9.15 8.76 7.59 5.27 4.69 3.53 2.95 2.22 2.00 1.89 1.78 1.63 1.53 1.45 1.43 1.39 1.34 1.30 1.20 -1.13 1.08 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 3 3 1 3 3 1 2 1 2 2 1 1 1 1 1 1 1 3 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">S S S S D:xz S S D:xz S D:z2 S S D:yz D:yz P:x D:xz D:z2 D:xy D:xz S D:x2-y2 S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.721 1.721 1.721 1.721 -4.317 1.721 1.721 -4.317 -6.431 -4.317 -6.431 -6.431 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -6.431 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.80 2.00 0.80 2.00 2.00 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.00 0.80 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">77 79 78 67 72 68 66 74 77 78 67 79 64 77 14 80 66 77 75 63 71 78 47</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W O W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.441</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">377</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="30">4.01 3.37 3.19 3.18 2.94 2.86 2.70 2.68 2.50 2.33 2.13 1.85 1.80 1.68 1.62 1.54 1.47 1.29 1.26 1.15 1.14 1.12 1.12 1.12 1.10 1.08 1.08 1.07 1.03 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 1 3 1 1 3 2 1 1 3 1 1 1 1 1 1 3 1 3 1 1 1 3 1 2 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:yz D:yz D:yz S D:x2-y2 D:x2-y2 S S D:yz D:xz S D:xz P:y P:y D:xz D:xz D:xy S P:x S D:yz D:x2-y2 P:y S P:y D:yz D:x2-y2 D:z2 P:z P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 1.721 -4.317 -4.317 1.721 -6.431 -4.317 -4.317 1.721 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 1.721 -10.027 1.721 -4.317 -4.317 -10.027 1.721 -10.027 4.748 -4.317 -4.317 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.80 0.00 0.80 0.80 0.00 2.00 0.80 0.80 0.00 0.80 1.33 1.33 0.80 0.80 0.80 0.00 1.33 0.00 0.80 0.80 1.33 0.00 1.33 0.00 0.80 0.80 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">73 81 70 68 78 71 65 65 80 78 79 70 33 32 80 67 67 67 61 66 69 73 31 77 38 81 67 81 29 35</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W O O W W W W O W W W O W O W W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.500</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">4.57 4.49 4.21 3.55 2.95 2.88 2.60 2.19 2.08 1.77 1.73 1.71 1.66 1.65 1.63 1.53 1.39 1.36 1.34 1.14 1.12 1.09 1.09 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 1 3 1 3 1 3 3 1 2 1 3 2 2 1 1 1 2 1 3 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S D:xy S D:xy S D:x2-y2 S S D:x2-y2 S D:x2-y2 S S S D:z2 D:yz D:yz S D:xy S S D:xz S P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 -4.317 1.721 -4.317 1.721 -4.317 1.721 1.721 -4.317 -6.431 -4.317 1.721 -6.431 -6.431 -4.317 -4.317 -4.317 -6.431 -4.317 1.721 -6.431 -4.317 -6.431 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.80 0.00 0.80 0.00 0.80 0.00 0.00 0.80 2.00 0.80 0.00 2.00 2.00 0.80 0.80 0.80 2.00 0.80 0.00 2.00 0.80 2.00 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">79 73 65 64 66 80 64 75 65 79 71 69 72 69 67 71 76 65 63 73 66 76 64 17</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.531</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">379</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">4.19 3.67 2.74 2.53 2.46 1.75 1.51 1.50 1.49 1.47 1.43 1.41 1.37 1.36 1.36 1.31 1.25 1.24 1.20 1.18 1.16 1.15 1.14 1.14 1.13 1.02 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S D:xz D:yz D:xy D:xz D:xz D:x2-y2 D:yz D:xy D:xy D:z2 P:y P:z D:z2 D:xz D:xz D:xz P:x D:z2 D:z2 D:xy D:x2-y2 P:x D:z2 S P:x P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 1.721 -10.027 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 1.33 0.80 0.00 1.33 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">79 74 63 76 72 69 79 75 65 63 68 1 1 77 75 63 76 28 66 79 79 77 45 63 77 14 51</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W O O W W W W O W W W W O W W O O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.573</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">6.53 3.22 2.95 2.77 2.73 2.66 2.37 2.34 2.31 2.14 2.12 1.80 1.55 1.52 1.44 1.41 1.40 1.38 1.34 1.26 1.24 1.20 1.20 1.20 1.19 1.18 1.11 1.10</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 1 3 1 3 1 3 3 1 1 1 1 1 3 1 1 1 1 1 3 1 1 2 1 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S D:z2 S D:xz S D:yz S S D:yz D:xy D:z2 P:z D:yz S D:xz D:xz D:yz D:yz D:yz S D:x2-y2 D:xy S D:xz D:xy S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.721 1.721 -4.317 1.721 -4.317 1.721 -4.317 1.721 1.721 -4.317 -4.317 -4.317 -10.027 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -6.431 -4.317 -4.317 1.721 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.80 0.00 0.80 0.00 0.80 0.00 0.00 0.80 0.80 0.80 1.33 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 2.00 0.80 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">78 73 67 65 63 64 70 80 79 80 67 71 58 81 68 73 72 76 73 75 81 78 78 65 64 63 77 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W O W W 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">20.622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="20">13.80 7.31 6.21 6.09 4.48 4.40 4.07 3.39 3.11 3.01 2.80 2.16 1.85 1.78 1.31 1.26 1.11 1.04 1.03 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">3 3 3 3 3 1 3 2 2 3 1 3 1 2 2 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S D:z2 S S S S D:z2 S D:z2 S S D:yz S D:yz D:z2 D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">1.721 1.721 1.721 1.721 1.721 -4.317 1.721 -6.431 -6.431 1.721 -4.317 1.721 -4.317 -6.431 -6.431 -4.317 1.721 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 0.00 0.00 0.00 0.80 0.00 2.00 2.00 0.00 0.80 0.00 0.80 2.00 2.00 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">67 65 68 78 70 66 69 67 65 76 68 77 78 78 68 64 74 63 79 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.650</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">9.64 9.26 5.71 3.68 3.65 2.92 2.80 2.50 2.47 2.42 2.34 2.07 1.86 1.82 1.39 1.36 1.31 1.31 1.23 1.17 1.14 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">3 3 1 1 2 1 3 3 3 3 3 2 3 1 3 1 1 1 3 3 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">S S D:xy D:z2 S D:z2 S S S S S S S D:z2 S D:z2 D:x2-y2 P:x S S S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">1.721 1.721 -4.317 -4.317 -6.431 -4.317 1.721 1.721 1.721 1.721 1.721 -6.431 1.721 -4.317 1.721 -4.317 -4.317 -10.027 1.721 1.721 -6.431 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.00 0.00 0.80 0.80 2.00 0.80 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 0.00 0.80 0.80 1.33 0.00 0.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">66 72 64 68 66 77 75 80 79 69 81 72 70 67 65 78 69 52 68 64 68 65</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 O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.690</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">6.91 6.87 5.19 4.87 4.62 4.32 3.26 3.13 3.06 2.91 2.79 2.55 2.15 1.81 1.73 1.60 1.47 1.37 1.34 1.32 1.23 1.22 1.10 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 1 3 1 3 1 3 2 3 1 2 1 1 3 2 3 1 1 3 1 1 3 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S D:xy S D:xy S D:yz S S S D:x2-y2 S P:y D:yz S S S P:x P:y S D:x2-y2 D:z2 S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 1.721 -4.317 1.721 -4.317 1.721 -4.317 1.721 -6.431 1.721 -4.317 -6.431 -10.027 -4.317 1.721 -6.431 1.721 -10.027 -10.027 1.721 -4.317 -4.317 1.721 -6.431</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 0.80 0.00 0.80 0.00 0.80 0.00 2.00 0.00 0.80 2.00 1.33 0.80 0.00 2.00 0.00 1.33 1.33 0.00 0.80 0.80 0.00 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">68 69 65 64 64 66 64 72 68 81 65 66 3 63 79 69 73 48 57 65 72 68 67 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W O W W W W O O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.772</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="29">13.18 9.82 6.80 5.44 5.24 4.83 4.62 -4.39 4.07 4.07 3.53 -3.41 3.29 2.86 2.77 2.51 2.25 2.20 2.01 1.90 1.60 1.58 1.48 -1.41 1.39 1.36 1.22 1.21 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">3 3 3 3 1 2 3 2 3 3 3 3 2 3 3 3 2 1 2 3 1 2 2 2 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">S S S S D:xz S S S S S S S S S S S S D:yz S S P:z S S S P:x S D:z2 P:z D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">1.721 1.721 1.721 1.721 -4.317 -6.431 1.721 -6.431 1.721 1.721 1.721 1.721 -6.431 1.721 1.721 1.721 -6.431 -4.317 -6.431 1.721 -10.027 -6.431 -6.431 -6.431 -10.027 -6.431 -4.317 -10.027 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.00 0.00 0.00 0.00 0.80 2.00 0.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 2.00 0.80 2.00 0.00 1.33 2.00 2.00 2.00 1.33 2.00 0.80 1.33 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">79 66 78 81 76 79 73 71 68 72 70 71 66 80 74 69 78 63 81 67 1 72 80 77 19 73 76 20 67</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W W W W W O W W W O W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.775</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">6.78 6.34 5.59 3.85 3.46 3.16 2.98 2.30 2.25 2.01 1.93 1.92 1.92 1.59 1.57 1.55 1.50 1.37 1.25 1.24 1.21 1.21 1.15 1.11 1.08 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">1 1 3 1 3 3 2 1 3 3 1 1 1 1 1 2 1 1 3 1 1 2 1 2 1 1 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">D:xy D:xz S D:x2-y2 S S S D:x2-y2 S S P:x P:y P:z D:x2-y2 D:xy S D:xy D:yz S D:xy P:x D:xy D:z2 S P:x P:x S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">-4.317 -4.317 1.721 -4.317 1.721 1.721 -6.431 -4.317 1.721 1.721 -10.027 -10.027 -10.027 -4.317 -4.317 -6.431 -4.317 -4.317 1.721 -4.317 -10.027 4.748 -4.317 -6.431 -10.027 -10.027 -6.431 1.721</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.80 0.80 0.00 0.80 0.00 0.00 2.00 0.80 0.00 0.00 1.33 1.33 1.33 0.80 0.80 2.00 0.80 0.80 0.00 0.80 1.33 0.00 0.80 2.00 1.33 1.33 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">63 76 68 75 77 81 68 76 72 67 51 50 1 74 76 77 73 63 66 74 21 63 77 67 19 20 71 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W O O O W W W W W W W O W W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.852</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="23">15.68 11.59 11.15 11.03 10.77 7.87 5.53 5.18 4.82 4.29 3.50 3.00 2.65 2.60 2.04 -1.45 -1.33 1.30 -1.25 1.09 -1.05 1.04 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="23">3 3 2 3 3 2 2 2 3 3 3 3 2 3 2 2 2 1 2 3 2 2 2</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 P:y D:xy S S S S P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 1.721 1.721 -6.431 -6.431 -6.431 1.721 1.721 1.721 1.721 -6.431 1.721 -6.431 -6.431 0.142 -4.317 -6.431 1.721 -6.431 -6.431 0.142</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.80 2.00 0.00 2.00 2.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">79 68 79 78 77 68 78 77 75 73 69 66 66 80 69 74 79 63 75 74 63 80 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.892</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">387</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">16.85 15.68 10.42 8.45 7.05 6.06 3.58 2.73 2.70 2.17 2.07 2.03 1.42 -1.42 1.34 1.25 1.23 1.09 1.08 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="20">3 3 2 2 3 2 1 3 3 2 1 1 3 2 1 2 1 1 3 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">S S S S S S D:z2 S S S D:z2 D:xy S S D:z2 S D:yz D:xz S S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 -6.431 1.721 -6.431 -4.317 1.721 1.721 -6.431 -4.317 -4.317 1.721 -6.431 -4.317 -6.431 -4.317 -4.317 1.721 1.721</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="20">0.00 0.00 2.00 2.00 0.00 2.00 0.80 0.00 0.00 2.00 0.80 0.80 0.00 2.00 0.80 2.00 0.80 0.80 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">77 67 67 77 78 78 78 66 79 66 79 65 68 76 68 68 73 80 80 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.930</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">388</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">5.56 4.82 4.41 4.13 3.67 3.50 3.24 2.78 2.36 2.23 1.97 1.80 1.77 1.74 1.70 1.67 1.63 1.30 1.23 1.17 1.13 1.04 1.01 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 1 2 3 2 3 1 1 1 3 1 2 1 3 2 1 2 3 1 3 1 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S D:z2 S S S S D:z2 D:z2 D:z2 S D:xz S D:z2 S S D:z2 S S P:x S D:yz D:z2 D:yz D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 -4.317 -6.431 1.721 -6.431 1.721 -4.317 -4.317 -4.317 1.721 -4.317 -6.431 -4.317 1.721 -6.431 -4.317 -6.431 1.721 -10.027 1.721 -4.317 4.748 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.80 2.00 0.00 2.00 0.00 0.80 0.80 0.80 0.00 0.80 2.00 0.80 0.00 2.00 0.80 2.00 0.00 1.33 0.00 0.80 0.00 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">67 77 67 77 77 78 67 78 79 66 70 66 66 65 65 68 78 75 43 80 81 78 76 75</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">20.968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">389</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="26">12.64 9.78 8.70 5.97 5.23 5.18 4.62 4.22 3.67 2.99 2.81 2.78 2.45 2.09 2.04 2.03 1.70 1.65 1.63 1.56 1.38 1.25 1.17 -1.16 1.05 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="26">3 3 2 3 3 2 2 1 2 3 3 3 3 2 3 2 3 2 1 2 3 3 1 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="26">S S S S S S S D:xy S S S S S S S S S S D:x2-y2 S S S D:x2-y2 P:x D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="26"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 1.721 1.721 -6.431 -6.431 -4.317 -6.431 1.721 1.721 1.721 1.721 -6.431 1.721 -6.431 1.721 -6.431 -4.317 -6.431 1.721 1.721 -4.317 0.142 -4.317 1.721</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="26">0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.80 2.00 0.00 0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.80 2.00 0.00 0.00 0.80 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="26">72 78 72 67 70 78 65 65 67 65 77 80 68 68 69 70 74 77 64 69 64 79 65 81 73 63</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="26">W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.045</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">390</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">15.16 12.11 9.78 8.93 8.44 6.40 4.90 4.12 3.78 3.70 3.52 2.98 2.56 1.86 1.81 1.80 1.55 1.38 1.25 1.24 -1.12 -1.11 -1.09 1.05 -1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 2 3 3 3 2 2 3 3 2 3 2 2 3 3 1 2 1 2 3 2 2 2 1 2</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 D:x2-y2 S D:yz S S P:x P:y P:x D:x2-y2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">1.721 -6.431 1.721 1.721 1.721 -6.431 -6.431 1.721 1.721 -6.431 1.721 -6.431 -6.431 1.721 1.721 -4.317 -6.431 -4.317 -6.431 1.721 10.785 0.142 0.142 -4.317 0.142</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">0.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.80 2.00 0.80 2.00 0.00 0.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">64 64 69 81 77 69 77 70 65 81 79 65 79 67 73 64 70 64 67 76 8 64 69 70 70</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W W W W W O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.110</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">391</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">7.07 6.80 5.56 4.03 3.75 3.62 3.09 2.74 2.67 2.62 2.50 2.26 2.12 2.02 1.89 1.88 1.61 1.59 1.58 1.56 1.45 1.44 1.37 1.27 1.24 1.17 1.15 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 1 3 1 1 1 1 3 2 3 1 3 2 2 2 2 1 1 1 3 2 3 3 3 3 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S D:yz S D:x2-y2 D:xy D:xy D:x2-y2 S S S D:x2-y2 S S S P:y S P:y P:y D:xz S S S S S S P:x S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.721 1.721 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 1.721 -6.431 1.721 -4.317 1.721 -6.431 -6.431 0.142 -6.431 -10.027 -10.027 -4.317 1.721 -6.431 1.721 1.721 1.721 1.721 -10.027 -6.431</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.80 0.00 0.80 0.80 0.80 0.80 0.00 2.00 0.00 0.80 0.00 2.00 2.00 0.00 2.00 1.33 1.33 0.80 0.00 2.00 0.00 0.00 0.00 0.00 1.33 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">65 69 71 72 65 64 71 64 75 65 74 71 76 69 74 71 75 17 52 71 81 81 67 80 63 78 17 67</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 O O W W W W W W W O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.192</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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">14.90 12.04 9.61 8.66 6.35 5.90 5.60 5.53 5.45 3.96 3.79 3.41 3.22 2.13 1.71 -1.65 1.63 1.53 1.50 1.25 1.14 -1.06 1.03 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 2 3 2 2 3 3 2 3 3 2 3 2 3 2 2 3 1 1 2 3 2 1 2</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 P:y S D:x2-y2 D:z2 S S P:z D:z2 P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 -6.431 1.721 -6.431 -6.431 1.721 1.721 -6.431 1.721 1.721 -6.431 1.721 -6.431 1.721 -6.431 0.142 1.721 -4.317 -4.317 -6.431 1.721 0.142 -4.317 0.142</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 2.00 0.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.00 0.00 0.80 0.80 2.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">64 64 68 68 66 77 65 65 66 72 77 79 79 63 70 64 70 65 64 72 74 68 63 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.265</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="28">7.27 7.26 7.16 6.87 4.45 4.45 4.25 4.20 3.75 3.64 3.29 3.20 3.00 2.50 2.42 2.10 2.01 1.60 1.56 1.53 1.44 1.27 1.24 1.21 1.13 1.13 1.10 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 3 2 3 3 2 3 3 2 2 3 2 3 2 3 2 1 1 2 2 2 2 3 3 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S S S S S S S S S S D:xz D:yz S S S S S S D:xy D:x2-y2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.721 1.721 1.721 -6.431 1.721 1.721 -6.431 1.721 1.721 -6.431 -6.431 1.721 -6.431 1.721 -6.431 1.721 -6.431 -4.317 -4.317 -6.431 -6.431 -6.431 -6.431 1.721 1.721 -4.317 -4.317 -6.431</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">73 78 70 78 80 67 67 81 72 70 72 77 73 69 77 65 69 76 63 81 80 79 68 64 79 71 65 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.308</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="25">15.01 13.92 13.19 12.59 11.37 10.65 10.01 8.67 7.38 6.57 3.89 3.33 -2.33 2.00 -1.91 -1.72 1.27 1.26 -1.20 1.13 1.13 1.11 1.10 -1.09 -1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">3 3 2 3 2 3 2 2 3 2 3 2 2 2 2 2 3 2 2 2 2 3 2 2 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">S S S S S S S S S S S S P:y S P:x P:x S S P:y S S S S P:y D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 1.721 -6.431 1.721 -6.431 -6.431 1.721 -6.431 1.721 -6.431 0.142 -6.431 0.142 0.142 1.721 -6.431 0.142 -6.431 -6.431 1.721 -6.431 0.142 4.748</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="25">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 0.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">73 72 72 80 73 69 69 80 70 70 81 81 73 64 72 80 75 68 81 75 66 68 65 75 81</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.394</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">395</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="27">21.77 13.10 12.19 10.87 7.72 6.81 6.50 5.10 3.92 3.89 2.91 2.81 2.74 2.19 2.05 -2.03 -1.98 1.76 -1.65 1.58 -1.51 1.37 1.25 -1.23 -1.18 1.17 -1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 2 3 2 2 3 3 3 2 2 3 3 3 1 3 3 2 2 1 3 1 2 2 2 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S S S S S S S D:z2 S S S P:z D:z2 S D:z2 S P:z P:z D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 1.721 -6.431 -6.431 1.721 1.721 1.721 -6.431 -6.431 1.721 1.721 1.721 -4.317 1.721 1.721 -6.431 0.142 -4.317 1.721 -4.317 -6.431 0.142 0.142 -4.317 10.785</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 2.00 0.00 2.00 2.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.80 0.00 0.00 2.00 0.00 0.80 0.00 0.80 2.00 0.00 0.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">75 80 75 70 80 70 76 69 81 69 76 63 74 73 78 79 67 81 79 79 78 77 73 67 71 67 37</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.456</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="24">21.95 19.76 17.66 11.70 10.98 6.95 6.41 4.72 3.87 3.35 2.60 2.51 1.99 -1.98 1.43 1.37 1.29 1.24 1.24 1.12 1.12 -1.11 -1.02 -1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 3 2 2 3 2 3 2 2 2 3 2 3 2 3 2 2 2 3 3 2 2 2 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S S S S P:y S S S S S S S P:x P:z S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 -6.431 1.721 -6.431 1.721 -6.431 -6.431 -6.431 1.721 -6.431 1.721 0.142 1.721 -6.431 -6.431 -6.431 1.721 1.721 -6.431 0.142 0.142 1.721</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 2.00 2.00 0.00 2.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">81 74 81 74 73 73 75 75 70 77 70 79 80 81 63 64 68 65 79 77 80 70 77 66</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.515</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="19">28.18 24.89 13.58 12.82 3.59 3.44 2.79 2.48 -2.40 2.35 -2.24 1.83 1.58 1.56 1.10 -1.08 -1.05 1.04 1.03</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">3 3 2 2 2 3 3 2 2 2 2 3 2 2 2 2 2 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">S S S S S S S S P:y S P:y S S S S P:y P:x S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 -6.431 -6.431 1.721 1.721 -6.431 0.142 -6.431 10.785 1.721 -6.431 -6.431 -6.431 0.142 0.142 1.721 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">76 63 76 63 65 75 74 75 76 64 26 70 74 78 77 63 63 73 64</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">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">21.622</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">4.75 3.43 3.29 3.19 3.16 3.16 3.09 3.00 2.97 2.93 2.81 2.73 2.65 2.55 2.32 2.15 1.95 1.94 1.82 1.82 1.57 1.54 1.45 1.45 1.41 1.29 1.16 1.09 1.06 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">1 1 3 3 2 1 2 3 1 1 1 1 1 1 1 2 2 1 3 2 1 2 2 1 1 3 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">D:xy D:x2-y2 S S S D:xy P:y S P:y D:xy D:z2 D:xy D:x2-y2 D:z2 D:x2-y2 S S D:yz S S D:x2-y2 S S D:xy D:x2-y2 S P:x D:z2 D:z2 P:x</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">-4.317 -4.317 1.721 1.721 -6.431 -4.317 0.142 1.721 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -6.431 -6.431 -4.317 1.721 -6.431 -4.317 -6.431 -6.431 -4.317 -4.317 1.721 -10.027 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.80 0.80 0.00 0.00 2.00 0.80 0.00 0.00 1.33 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.00 2.00 0.80 2.00 2.00 0.80 0.80 0.00 1.33 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">71 81 76 69 70 65 71 64 17 72 71 69 64 64 71 81 76 71 75 75 70 69 80 70 69 72 17 65 69 8</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W O W W W W W W W W W W W W W W W W W O W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.718</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">399</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">14.33 12.49 12.26 11.55 9.54 6.91 6.02 4.59 4.05 2.38 2.18 2.18 2.06 -2.01 1.86 1.54 -1.52 1.27 -1.27 -1.16 -1.16 1.16 1.10 1.07</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">3 2 2 3 3 2 3 2 2 3 2 3 2 2 1 3 2 1 2 2 2 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S S S S P:x D:z2 S P:z D:xz P:y D:z2 P:y P:x S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">1.721 -6.431 -6.431 1.721 1.721 -6.431 1.721 -6.431 -6.431 1.721 -6.431 1.721 -6.431 0.142 -4.317 1.721 0.142 -4.317 0.142 4.748 0.142 -10.027 -6.431 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.00 2.00 2.00 0.00 0.00 2.00 0.00 2.00 2.00 0.00 2.00 0.00 2.00 0.00 0.80 0.00 0.00 0.80 0.00 0.00 0.00 1.33 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">63 63 76 76 75 75 80 80 69 70 70 74 72 76 76 69 79 65 63 75 75 57 74 74</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.748</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="27">11.52 6.37 6.21 5.86 5.56 4.68 4.05 4.02 3.84 3.48 3.48 2.85 2.75 2.69 2.35 2.34 2.25 -1.65 1.50 1.45 1.39 1.28 1.23 1.21 1.11 1.10 1.09</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="27">3 3 3 2 3 2 3 2 1 2 3 2 2 1 2 2 1 3 1 1 1 1 1 3 2 1 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="27">S S S S S S S S D:z2 S S S S D:z2 S S D:yz S D:x2-y2 D:z2 D:xy D:z2 D:z2 S S D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="27"
                               units="nonsi:electronvolt">1.721 1.721 1.721 -6.431 1.721 -6.431 1.721 -6.431 -4.317 -6.431 1.721 -6.431 -6.431 -4.317 -6.431 -6.431 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -6.431 -4.317 1.721</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="27">0.00 0.00 0.00 2.00 0.00 2.00 0.00 2.00 0.80 2.00 0.00 2.00 2.00 0.80 2.00 2.00 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.00 2.00 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="27">74 80 70 74 75 80 81 70 76 73 73 69 72 65 75 81 77 78 81 64 70 63 70 67 78 66 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="27">W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.789</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="30">7.91 7.47 6.19 5.38 4.57 3.28 3.03 3.02 2.56 2.32 1.93 1.82 1.81 1.79 1.72 1.66 1.62 1.40 1.33 1.31 1.26 1.21 1.15 1.12 1.11 1.09 1.06 1.03 1.02 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="30">3 2 3 2 3 1 2 3 1 2 2 1 2 1 1 3 2 3 2 2 1 1 1 1 1 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="30">S S S S S D:z2 S S D:z2 S P:y D:z2 S P:y D:xy S S S S S D:z2 D:xz D:z2 D:x2-y2 D:yz D:yz S D:yz D:xy D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="30"
                               units="nonsi:electronvolt">1.721 -6.431 1.721 -6.431 1.721 -4.317 -6.431 1.721 -4.317 -6.431 0.142 -4.317 -6.431 -10.027 -4.317 1.721 -6.431 1.721 -6.431 -6.431 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="30">0.00 2.00 0.00 2.00 0.00 0.80 2.00 0.00 0.80 2.00 0.00 0.80 2.00 1.33 0.80 0.00 2.00 0.00 2.00 2.00 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="30">74 74 73 73 76 63 63 80 76 80 71 64 76 17 71 63 75 78 77 65 65 68 71 79 71 64 81 63 66 68</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="30">W W W W W W W W W W W W W O W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.841</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">402</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.42 10.39 8.39 5.01 4.40 4.24 3.94 3.21 3.12 2.95 2.51 2.34 2.28 2.25 2.22 1.98 1.70 1.63 1.53 -1.33 -1.25 1.07 1.07 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">2 3 2 2 3 3 2 2 2 3 2 1 2 2 1 3 1 3 3 3 2 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">S S S S S S S S S S S D:z2 S S D:z2 S D:z2 S S S P:x D:yz S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-6.431 1.721 -6.431 -6.431 1.721 1.721 -6.431 -6.431 -6.431 1.721 -6.431 -4.317 -6.431 -6.431 -4.317 1.721 -4.317 1.721 1.721 1.721 0.142 -4.317 1.721 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">2.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 2.00 0.80 2.00 2.00 0.80 0.00 0.80 0.00 0.00 0.00 0.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="24">74 74 75 81 80 73 80 63 70 75 73 65 76 72 76 70 64 81 72 76 74 64 66 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">21.962</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">403</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.86 6.68 4.27 3.67 2.75 2.39 2.36 2.23 2.17 2.15 1.81 1.52 1.50 1.46 1.45 1.41 1.39 1.35 1.32 1.23 1.19 1.18 1.17 1.16 1.13 1.10 1.07 -1.06 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 3 1 1 1 1 1 1 2 2 1 1 1 2 3 1 1 1 1 3 1 1 1 2 1 3 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 S D:z2 D:xz D:xz D:z2 D:z2 D:xz S S D:xz D:x2-y2 D:xz S S D:x2-y2 D:x2-y2 D:xy D:xz S D:xy D:xy D:z2 S P:x S S S D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -6.431 -6.431 -4.317 -4.317 -4.317 -6.431 1.721 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -6.431 -10.027 1.721 -26.921 -6.431 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 2.00 2.00 0.80 0.80 0.80 2.00 0.00 0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 2.00 1.33 0.00 2.00 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">75 63 69 79 77 72 74 68 63 74 69 79 66 71 74 68 81 70 75 80 69 66 73 69 47 79 16 79 72</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W W W W W W W W W O W O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.005</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">404</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="28">13.07 10.12 9.23 6.21 5.53 5.43 4.21 3.86 3.22 2.90 2.69 2.46 2.22 1.97 1.91 1.75 1.69 1.60 1.51 1.49 -1.46 1.44 1.43 -1.38 1.26 1.21 1.11 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="28">3 3 2 2 2 2 2 2 1 3 2 1 2 1 3 2 3 3 1 1 2 1 1 2 2 1 3 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="28">S S S S S S S S D:z2 S S D:z2 S D:x2-y2 S S S S D:yz D:xz P:x D:xy D:z2 P:y S D:x2-y2 S D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="28"
                               units="nonsi:electronvolt">1.721 1.721 -6.431 -6.431 -6.431 -6.431 -6.431 -6.431 -4.317 1.721 -6.431 -4.317 -6.431 -4.317 1.721 -6.431 1.721 1.721 -4.317 -4.317 0.142 -4.317 -4.317 0.142 -6.431 -4.317 1.721 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="28">0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.00 2.00 0.80 2.00 0.80 0.00 2.00 0.00 0.00 0.80 0.80 0.00 0.80 0.80 0.00 2.00 0.80 0.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="28">63 76 63 80 76 73 64 65 73 81 74 70 75 67 75 72 74 70 79 67 76 78 81 63 69 78 64 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="28">W W W W W W W W W W W W W W W W W W W W W W W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.123</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="22">13.74 4.74 4.63 4.23 3.84 3.12 2.63 2.51 2.09 2.04 1.90 1.62 1.51 1.49 1.36 1.33 1.33 1.28 1.22 1.21 1.17 1.12</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="22">1 1 1 1 3 1 1 1 1 2 1 3 1 3 1 1 1 1 1 1 2 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="22">D:z2 D:z2 D:z2 D:xz S D:x2-y2 D:xz D:z2 D:x2-y2 S D:x2-y2 S P:y S D:xy S D:xz D:yz S P:x S D:yz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="22"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -6.431 -4.317 1.721 -10.027 1.721 -4.317 -26.921 -4.317 -4.317 -26.921 -10.027 -6.431 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="22">0.80 0.80 0.80 0.80 0.00 0.80 0.80 0.80 0.80 2.00 0.80 0.00 1.33 0.00 0.80 2.00 0.80 0.80 2.00 1.33 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="22">70 76 80 67 63 64 80 65 67 63 81 74 52 76 70 31 70 77 9 5 65 65</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="22">W W W W W W W W W W W W O W W O W W O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.143</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">406</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="29">7.36 5.03 3.99 2.95 2.74 2.66 2.56 2.42 1.95 1.91 1.90 1.84 1.72 1.58 1.55 1.42 1.24 1.21 1.21 1.18 1.16 1.15 1.15 1.14 1.12 1.07 1.04 1.03 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="29">1 1 1 1 1 3 1 2 1 1 3 1 1 1 3 1 1 2 1 1 1 1 1 1 1 3 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="29">D:z2 D:z2 D:x2-y2 D:x2-y2 D:z2 S D:xy S D:yz D:z2 S D:x2-y2 D:yz D:yz S D:z2 D:xy S P:y D:xz D:xy P:y P:y P:z S S D:xy D:x2-y2 D:x2-y2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="29"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 1.721 -4.317 -6.431 -4.317 -4.317 1.721 -4.317 -4.317 -4.317 1.721 -4.317 -4.317 -6.431 -10.027 -4.317 -4.317 -10.027 -10.027 -10.027 -26.921 1.721 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="29">0.80 0.80 0.80 0.80 0.80 0.00 0.80 2.00 0.80 0.80 0.00 0.80 0.80 0.80 0.00 0.80 0.80 2.00 1.33 0.80 0.80 1.33 1.33 1.33 2.00 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="29">81 73 81 65 64 76 70 76 73 63 65 72 81 67 63 76 78 64 6 78 65 29 48 42 33 64 72 78 73</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="29">W W W W W W W W W W W W W W W W W W O W W O O O O W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.279</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">407</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="20">9.24 7.25 6.54 5.22 2.37 2.33 2.27 2.10 1.80 1.73 1.65 1.32 1.27 1.20 1.18 1.17 1.13 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 3</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="20">D:xy D:xy D:xz D:xy D:yz D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 P:x D:xy P:x D:x2-y2 D:x2-y2 S P:x P:x D:z2 S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="20"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 -4.317 -4.317 -26.921 -10.027 -10.027 -4.317 1.721</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 1.33 0.80 0.80 2.00 1.33 1.33 0.80 0.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="20">75 80 71 69 71 70 63 72 63 72 47 72 26 81 80 15 49 30 76 76</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="20">W W W W W W W W W W O W O W W O O O W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.340</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">408</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="24">12.88 6.47 5.19 3.54 3.31 2.01 1.75 1.72 1.72 1.66 1.66 1.54 1.52 1.50 1.45 1.25 1.21 1.20 1.19 1.15 1.11 1.09 1.06 1.04</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="24">1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 3 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="24">D:x2-y2 D:xy D:x2-y2 D:xy D:z2 P:y D:xy S D:xy P:y D:z2 P:x D:xy D:z2 S D:z2 D:x2-y2 P:y S D:yz D:z2 D:yz D:x2-y2 D:z2</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="24"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -6.431 -4.317 0.142 -4.317 -10.027 -4.317 -4.317 -26.921 -4.317 -4.317 -10.027 1.721 -4.317 -4.317 -4.317 -4.317 -4.317</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="24">0.80 0.80 0.80 0.80 0.80 1.33 0.80 2.00 0.80 0.00 0.80 1.33 0.80 0.80 2.00 0.80 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="24">73 74 74 80 64 29 75 71 70 73 73 27 76 65 13 80 80 30 63 68 63 73 76 69</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="24">W W W W W O W W W W W O W W O W W O W W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.376</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</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="19">7.69 7.53 5.69 4.80 3.58 2.05 1.90 1.64 1.61 1.48 1.32 1.29 1.26 1.23 1.22 1.15 1.10 1.07 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="19">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="19">D:z2 D:z2 D:xy D:z2 D:z2 D:xz D:xy D:z2 D:xy D:z2 P:x D:z2 D:xy D:xz D:z2 D:x2-y2 D:x2-y2 D:yz P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="19"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="19">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="19">72 75 69 74 69 66 70 76 72 64 3 63 65 79 65 79 63 71 7</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="19">W W W W W W W W W W O W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.553</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">410</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.47 3.85 3.30 3.23 3.17 2.45 2.14 2.07 1.94 1.84 1.72 1.64 1.59 1.58 1.52 1.51 1.47 1.27 1.26 1.23 1.21 1.15 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 2 1 1 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:z2 D:yz D:x2-y2 D:z2 D:z2 D:z2 D:xy D:z2 D:x2-y2 D:yz D:yz P:y D:yz D:z2 D:xy D:x2-y2 P:y P:y D:xz P:y D:yz D:xz D:xz</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -4.317 -4.317 -4.317 0.142 -10.027 -4.317 0.142 -4.317 -4.317 -4.317</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 1.33 0.80 0.80 0.80 0.80 0.00 1.33 0.80 0.00 0.80 0.80 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">73 78 72 80 72 74 72 70 81 77 66 48 67 81 77 65 71 17 71 81 81 67 80</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W O W W W W W O W W W W W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.641</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">411</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="25">8.34 5.88 3.38 2.90 2.82 2.62 2.47 2.23 2.23 2.16 2.15 2.04 2.02 1.94 1.92 1.78 1.78 1.56 1.39 1.27 1.22 1.20 1.09 1.08 1.01</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="25">1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="25">D:x2-y2 D:xy D:xy D:xy D:xz P:y P:x P:x D:x2-y2 S D:x2-y2 D:x2-y2 D:yz D:xy D:xy D:z2 D:x2-y2 P:x P:x D:xz P:x S P:y D:z2 P:y</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="25"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -10.027 -4.317 1.721 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -10.027 -4.317 -10.027 1.721 0.142 -4.317 -10.027</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 0.80 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 1.33 0.00 0.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="25">64 65 72 69 79 52 57 3 72 65 79 71 64 80 75 75 65 47 48 66 10 64 64 76 54</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="25">W W W W W O O O W W W W W W W W W O O W O W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.776</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">412</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="21">6.96 4.63 4.29 3.78 3.67 3.08 2.60 2.17 2.05 1.99 1.75 1.72 1.61 1.56 1.43 1.40 1.36 1.19 1.17 1.09 1.05</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="21">1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="21">D:xz D:yz D:xz D:xz D:yz D:xz D:yz D:z2 D:yz D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:z2 D:x2-y2 D:x2-y2 P:z P:z D:yz S D:xy</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="21"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 0.142 0.142 -4.317 -26.921 -4.317</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 0.00 0.00 0.80 2.00 0.80</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="21">77 68 68 66 67 79 78 69 79 68 69 73 66 74 77 74 68 79 77 58 67</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 O W</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.872</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">413</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="18">5.92 4.99 4.78 4.65 3.89 3.79 3.69 3.16 2.95 2.75 2.68 2.09 2.05 1.53 1.33 -1.05 1.04 1.02</array>
                        <array dataType="xsd:integer" dictRef="cc:sfo1" size="18">1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="18">D:xz D:yz D:yz D:yz D:xy D:xy D:x2-y2 D:yz D:x2-y2 D:xz D:yz D:yz D:xy D:xy S S D:xy P:z</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="18"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 1.721 -6.431 -4.317 -10.027</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="18">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 2.00 0.80 1.33</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="18">68 77 66 67 66 77 68 78 79 79 79 68 68 79 67 67 80 2</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="18">W W W W W W W W W W W W W W W W W O</array>
                     </list>
                     <list cmlx:templateRef="mo">
                        <scalar dataType="xsd:double"
                                dictRef="cc:mo.energy"
                                units="nonsi:electronvolt">22.968</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:mo.occupation">0.00</scalar>
                        <scalar dataType="xsd:integer" dictRef="cc:mo.number">414</scalar>
                        <scalar dataType="xsd:string" dictRef="cc:mo.label">A</scalar>
                        <array dataType="xsd:double" dictRef="cc:percent" size="23">5.63 4.35 4.27 3.53 3.50 2.60 2.60 2.41 1.94 1.93 1.86 1.74 1.70 1.61 1.61 1.51 1.45 1.37 1.29 1.21 1.16 1.14 -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 3 1 1 2</array>
                        <array dataType="xsd:string" dictRef="cc:sfo2" size="23">D:yz D:xy D:xy D:yz D:xz D:z2 D:x2-y2 D:xy D:x2-y2 D:x2-y2 D:xz D:xy D:xy D:x2-y2 D:x2-y2 D:z2 P:x D:xz P:x S D:x2-y2 D:xy S</array>
                        <array dataType="xsd:double"
                               dictRef="cc:energy"
                               size="23"
                               units="nonsi:electronvolt">-4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -4.317 -10.027 -4.317 -10.027 1.721 -4.317 -4.317 -6.431</array>
                        <array dataType="xsd:double" dictRef="cc:occupation" size="23">0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.00 0.80 0.80 2.00</array>
                        <array dataType="xsd:integer" dictRef="cc:fragment1" size="23">77 80 75 79 78 76 73 77 78 74 71 74 69 64 72 63 30 67 50 79 67 79 79</array>
                        <array dataType="xsd:string" dictRef="cc:fragment2" size="23">W W W W W W W W W W W W W W W W O W O W W W W</array>
                     </list>
                  </module>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
