<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        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:compchem="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:g="http://www.iochem-bd.org/dictionary/gaussian/"
        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="gaussian.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">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">28-Mar-2022</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">20-Dec-2017</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevB.01</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RB3LYP</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">Gen</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">SP</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#p</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">b3lyp/gen</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(smd,solvent=1,4-dioxane)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">cphf=conver=7</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">empiricaldispersion=gd3</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">int=(acc2e=11,grid=ultrafine)</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="3.26444"
                        y3="-0.47543"
                        z3="3.49222"/>
                  <atom elementType="N"
                        id="a2"
                        x3="5.27062"
                        y3="1.64081"
                        z3="3.62297"/>
                  <atom elementType="N"
                        id="a3"
                        x3="6.19563"
                        y3="-0.29046"
                        z3="3.65587"/>
                  <atom elementType="C"
                        id="a4"
                        x3="6.18453"
                        y3="-1.60921"
                        z3="6.22522"/>
                  <atom elementType="H"
                        id="a5"
                        x3="6.30653"
                        y3="-0.54417"
                        z3="6.02511"/>
                  <atom elementType="C"
                        id="a6"
                        x3="4.98354"
                        y3="0.31338"
                        z3="3.56631"/>
                  <atom elementType="C"
                        id="a7"
                        x3="6.63444"
                        y3="1.85875"
                        z3="3.75372"/>
                  <atom elementType="H"
                        id="a8"
                        x3="7.05026"
                        y3="2.84832"
                        z3="3.81953"/>
                  <atom elementType="C"
                        id="a9"
                        x3="7.21981"
                        y3="0.63928"
                        z3="3.76896"/>
                  <atom elementType="H"
                        id="a10"
                        x3="8.25073"
                        y3="0.34518"
                        z3="3.8535"/>
                  <atom elementType="C"
                        id="a11"
                        x3="6.37088"
                        y3="-1.71932"
                        z3="3.67835"/>
                  <atom elementType="C"
                        id="a12"
                        x3="6.4023"
                        y3="-2.36465"
                        z3="4.92305"/>
                  <atom elementType="C"
                        id="a13"
                        x3="7.20305"
                        y3="-1.98358"
                        z3="7.30851"/>
                  <atom elementType="H"
                        id="a14"
                        x3="7.06357"
                        y3="-1.34993"
                        z3="8.18761"/>
                  <atom elementType="H"
                        id="a15"
                        x3="8.22854"
                        y3="-1.85214"
                        z3="6.9554"/>
                  <atom elementType="H"
                        id="a16"
                        x3="7.08958"
                        y3="-3.01982"
                        z3="7.63399"/>
                  <atom elementType="C"
                        id="a17"
                        x3="6.56148"
                        y3="-3.7504"
                        z3="4.92187"/>
                  <atom elementType="H"
                        id="a18"
                        x3="6.58123"
                        y3="-4.28751"
                        z3="5.86126"/>
                  <atom elementType="C"
                        id="a19"
                        x3="6.6742"
                        y3="-4.45473"
                        z3="3.73066"/>
                  <atom elementType="H"
                        id="a20"
                        x3="6.79205"
                        y3="-5.53159"
                        z3="3.75125"/>
                  <atom elementType="C"
                        id="a21"
                        x3="6.6190"
                        y3="-3.78994"
                        z3="2.51403"/>
                  <atom elementType="H"
                        id="a22"
                        x3="6.68353"
                        y3="-4.3560"
                        z3="1.59353"/>
                  <atom elementType="C"
                        id="a23"
                        x3="6.46192"
                        y3="-2.40422"
                        z3="2.45985"/>
                  <atom elementType="C"
                        id="a24"
                        x3="6.32395"
                        y3="-1.69747"
                        z3="1.12091"/>
                  <atom elementType="H"
                        id="a25"
                        x3="6.32868"
                        y3="-0.62231"
                        z3="1.30185"/>
                  <atom elementType="C"
                        id="a26"
                        x3="4.97279"
                        y3="-2.04576"
                        z3="0.4768"/>
                  <atom elementType="H"
                        id="a27"
                        x3="4.90843"
                        y3="-3.11318"
                        z3="0.2524"/>
                  <atom elementType="H"
                        id="a28"
                        x3="4.83962"
                        y3="-1.49641"
                        z3="-0.45719"/>
                  <atom elementType="H"
                        id="a29"
                        x3="4.14534"
                        y3="-1.79581"
                        z3="1.14393"/>
                  <atom elementType="C"
                        id="a30"
                        x3="7.48977"
                        y3="-2.00446"
                        z3="0.17258"/>
                  <atom elementType="H"
                        id="a31"
                        x3="7.51831"
                        y3="-3.05963"
                        z3="-0.10803"/>
                  <atom elementType="H"
                        id="a32"
                        x3="8.45015"
                        y3="-1.75295"
                        z3="0.62861"/>
                  <atom elementType="H"
                        id="a33"
                        x3="7.38922"
                        y3="-1.42342"
                        z3="-0.74746"/>
                  <atom elementType="C"
                        id="a34"
                        x3="4.25934"
                        y3="2.66716"
                        z3="3.58346"/>
                  <atom elementType="C"
                        id="a35"
                        x3="4.00805"
                        y3="3.30772"
                        z3="2.35948"/>
                  <atom elementType="C"
                        id="a36"
                        x3="2.99191"
                        y3="4.26091"
                        z3="2.33363"/>
                  <atom elementType="H"
                        id="a37"
                        x3="2.75835"
                        y3="4.77289"
                        z3="1.40992"/>
                  <atom elementType="C"
                        id="a38"
                        x3="2.25941"
                        y3="4.55479"
                        z3="3.47718"/>
                  <atom elementType="H"
                        id="a39"
                        x3="1.46542"
                        y3="5.29061"
                        z3="3.43265"/>
                  <atom elementType="C"
                        id="a40"
                        x3="2.53146"
                        y3="3.90583"
                        z3="4.67059"/>
                  <atom elementType="H"
                        id="a41"
                        x3="1.94589"
                        y3="4.13815"
                        z3="5.55084"/>
                  <atom elementType="C"
                        id="a42"
                        x3="3.54108"
                        y3="2.94483"
                        z3="4.75319"/>
                  <atom elementType="C"
                        id="a43"
                        x3="3.81013"
                        y3="2.23801"
                        z3="6.07299"/>
                  <atom elementType="H"
                        id="a44"
                        x3="4.62712"
                        y3="1.53228"
                        z3="5.92219"/>
                  <atom elementType="C"
                        id="a45"
                        x3="4.2596"
                        y3="3.23012"
                        z3="7.15541"/>
                  <atom elementType="H"
                        id="a46"
                        x3="5.1440"
                        y3="3.78951"
                        z3="6.84076"/>
                  <atom elementType="H"
                        id="a47"
                        x3="4.50527"
                        y3="2.69795"
                        z3="8.07791"/>
                  <atom elementType="H"
                        id="a48"
                        x3="3.47284"
                        y3="3.95136"
                        z3="7.38833"/>
                  <atom elementType="C"
                        id="a49"
                        x3="2.58741"
                        y3="1.43019"
                        z3="6.53158"/>
                  <atom elementType="H"
                        id="a50"
                        x3="1.73254"
                        y3="2.07999"
                        z3="6.73049"/>
                  <atom elementType="H"
                        id="a51"
                        x3="2.81559"
                        y3="0.88757"
                        z3="7.45187"/>
                  <atom elementType="H"
                        id="a52"
                        x3="2.28095"
                        y3="0.70312"
                        z3="5.77811"/>
                  <atom elementType="C"
                        id="a53"
                        x3="4.75695"
                        y3="2.91486"
                        z3="1.0938"/>
                  <atom elementType="H"
                        id="a54"
                        x3="5.7478"
                        y3="2.56155"
                        z3="1.38492"/>
                  <atom elementType="C"
                        id="a55"
                        x3="4.96565"
                        y3="4.07824"
                        z3="0.11912"/>
                  <atom elementType="H"
                        id="a56"
                        x3="4.0263"
                        y3="4.40815"
                        z3="-0.3297"/>
                  <atom elementType="H"
                        id="a57"
                        x3="5.61914"
                        y3="3.76361"
                        z3="-0.69782"/>
                  <atom elementType="H"
                        id="a58"
                        x3="5.42736"
                        y3="4.93815"
                        z3="0.60963"/>
                  <atom elementType="C"
                        id="a59"
                        x3="4.03799"
                        y3="1.74589"
                        z3="0.40046"/>
                  <atom elementType="H"
                        id="a60"
                        x3="3.93019"
                        y3="0.89405"
                        z3="1.07155"/>
                  <atom elementType="H"
                        id="a61"
                        x3="4.5965"
                        y3="1.4214"
                        z3="-0.48091"/>
                  <atom elementType="H"
                        id="a62"
                        x3="3.03786"
                        y3="2.04451"
                        z3="0.08024"/>
                  <atom elementType="C"
                        id="a63"
                        x3="4.74423"
                        y3="-1.81938"
                        z3="6.71985"/>
                  <atom elementType="H"
                        id="a64"
                        x3="4.01528"
                        y3="-1.52164"
                        z3="5.9636"/>
                  <atom elementType="H"
                        id="a65"
                        x3="4.55845"
                        y3="-1.23082"
                        z3="7.62151"/>
                  <atom elementType="H"
                        id="a66"
                        x3="4.56334"
                        y3="-2.87039"
                        z3="6.95786"/>
                  <atom elementType="O"
                        id="a67"
                        x3="1.58896"
                        y3="-1.25742"
                        z3="3.63594"/>
                  <atom elementType="C"
                        id="a68"
                        x3="0.24166"
                        y3="-1.4293"
                        z3="1.60663"/>
                  <atom elementType="C"
                        id="a69"
                        x3="1.11562"
                        y3="-0.67067"
                        z3="0.60898"/>
                  <atom elementType="H"
                        id="a70"
                        x3="-0.80411"
                        y3="-1.37931"
                        z3="1.2941"/>
                  <atom elementType="H"
                        id="a71"
                        x3="0.53423"
                        y3="-2.48056"
                        z3="1.60485"/>
                  <atom elementType="H"
                        id="a72"
                        x3="2.11863"
                        y3="-0.54738"
                        z3="1.02339"/>
                  <atom elementType="H"
                        id="a73"
                        x3="0.72205"
                        y3="0.33626"
                        z3="0.44935"/>
                  <atom elementType="C"
                        id="a74"
                        x3="1.21585"
                        y3="-1.39244"
                        z3="-0.73595"/>
                  <atom elementType="H"
                        id="a75"
                        x3="0.20896"
                        y3="-1.60648"
                        z3="-1.11116"/>
                  <atom elementType="H"
                        id="a76"
                        x3="1.69979"
                        y3="-2.36362"
                        z3="-0.58557"/>
                  <atom elementType="C"
                        id="a77"
                        x3="1.98768"
                        y3="-0.59096"
                        z3="-1.78245"/>
                  <atom elementType="C"
                        id="a78"
                        x3="0.38002"
                        y3="-0.9877"
                        z3="3.09047"/>
                  <atom elementType="C"
                        id="a79"
                        x3="-0.67373"
                        y3="-1.80609"
                        z3="3.91277"/>
                  <atom elementType="C"
                        id="a80"
                        x3="0.02004"
                        y3="0.53527"
                        z3="3.22481"/>
                  <atom elementType="F"
                        id="a81"
                        x3="-1.10389"
                        y3="0.87891"
                        z3="2.54857"/>
                  <atom elementType="F"
                        id="a82"
                        x3="-0.15828"
                        y3="0.92644"
                        z3="4.50433"/>
                  <atom elementType="F"
                        id="a83"
                        x3="1.01493"
                        y3="1.30644"
                        z3="2.72971"/>
                  <atom elementType="F"
                        id="a84"
                        x3="-1.95685"
                        y3="-1.51925"
                        z3="3.56748"/>
                  <atom elementType="F"
                        id="a85"
                        x3="-0.50633"
                        y3="-3.13069"
                        z3="3.70415"/>
                  <atom elementType="F"
                        id="a86"
                        x3="-0.57339"
                        y3="-1.60904"
                        z3="5.23891"/>
                  <atom elementType="H"
                        id="a87"
                        x3="2.06468"
                        y3="-1.13591"
                        z3="-2.72681"/>
                  <atom elementType="H"
                        id="a88"
                        x3="1.49578"
                        y3="0.36376"
                        z3="-1.98911"/>
                  <atom elementType="H"
                        id="a89"
                        x3="3.00143"
                        y3="-0.36993"
                        z3="-1.44136"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a67" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a11" order="S"/>
                  <bond atomRefs2="a4 a12" order="S"/>
                  <bond atomRefs2="a4 a63" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a42" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a49" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a55 a57" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a63 a66" order="S"/>
                  <bond atomRefs2="a63 a65" order="S"/>
                  <bond atomRefs2="a63 a64" order="S"/>
                  <bond atomRefs2="a67 a78" order="S"/>
                  <bond atomRefs2="a68 a70" order="S"/>
                  <bond atomRefs2="a68 a78" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
                  <bond atomRefs2="a68 a69" order="S"/>
                  <bond atomRefs2="a69 a73" order="S"/>
                  <bond atomRefs2="a69 a74" order="S"/>
                  <bond atomRefs2="a69 a72" order="S"/>
                  <bond atomRefs2="a74 a76" order="S"/>
                  <bond atomRefs2="a74 a75" order="S"/>
                  <bond atomRefs2="a74 a77" order="S"/>
                  <bond atomRefs2="a77 a89" order="S"/>
                  <bond atomRefs2="a77 a87" order="S"/>
                  <bond atomRefs2="a77 a88" order="S"/>
                  <bond atomRefs2="a78 a80" order="S"/>
                  <bond atomRefs2="a78 a79" order="S"/>
                  <bond atomRefs2="a79 a86" order="S"/>
                  <bond atomRefs2="a79 a85" order="S"/>
                  <bond atomRefs2="a79 a84" order="S"/>
                  <bond atomRefs2="a80 a83" order="S"/>
                  <bond atomRefs2="a80 a81" order="S"/>
                  <bond atomRefs2="a80 a82" order="S"/>
               </bondArray>
               <formula concise="C34H45CuF6N2O"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">629.9130191999994</scalar>
               </property>
               <list cmlx:templateRef="charge">
                  <list>
                     <scalar dataType="xsd:integer" dictRef="g:charge">0</scalar>
                     <scalar dataType="xsd:integer" dictRef="g:mult">1</scalar>
                  </list>
               </list>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C27H36N2.C7H9F6O.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-3-4-5(14,6(8,9)10)7(11,12)13;/h9-16,18-21H,1-8H3;2-4H2,1H3;/q;-1;+1/rC34H45CuF6N2O/c1-10-11-18-32(33(36,37)38,34(39,40)41)44-35-31-42(29-25(21(2)3)14-12-15-26(29)22(4)5)19-20-43(31)30-27(23(6)7)16-13-17-28(30)24(8)9/h12-17,19-24H,10-11,18H2,1-9H3">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,63,26,30,45,49,55,59,19,38,17,21,40,36,9,7,6,4,24,43,53,12,23,42,35,11,34,3,2;77,74,69,68,78,79,80,84,85,86,81,82,83,67;1/E:(1,2,3,4,5,6,7,8)(9,10)(11,12,13,14)(15,16)(18,19,20,21)(22,23,24,25)(26,27)(28,29);(6,7)(8,9,10,11,12,13);/CRV:9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.2,22.3,23.3,24.3,25.3,26.3,27.3;14-1;/rA:89nCuNNCHC3C3HC3HC3C3CHHHC3HC3HC3HC3CHCHHHCHHHC3C3C3HC3HC3HC3CHCHHHCHHHCHCHHHCHHHCHHHOCCHHHHCHHCCCCFFFFFFHHH/rB:;;;s4;s1s2s3;s2;s7;s3s7;s9;s3;s4s11;s4;s13;s13;s13;s12;s17;s17;s19;s19;s21;s11s21;s23;s24;s24;s26;s26;s26;s24;s30;s30;s30;s2;s34;s35;s36;s36;s38;s38;s40;s34s40;s42;s43;s43;s45;s45;s45;s43;s49;s49;s49;s35;s53;s53;s55;s55;s55;s53;s59;s59;s59;s4;s63;s63;s63;s1;;s68;s68;s68;s69;s69;s69;s74;s74;s74;s67s68;s78;s78;s80;s80;s80;s79;s79;s79;s77;s77;s77;/rC:3.2644,-.4754,3.4922;5.2706,1.6408,3.623;6.1956,-.2905,3.6559;6.1845,-1.6092,6.2252;6.3065,-.5442,6.0251;4.9835,.3134,3.5663;6.6344,1.8587,3.7537;7.0503,2.8483,3.8195;7.2198,.6393,3.769;8.2507,.3452,3.8535;6.3709,-1.7193,3.6784;6.4023,-2.3647,4.923;7.2031,-1.9836,7.3085;7.0636,-1.3499,8.1876;8.2285,-1.8521,6.9554;7.0896,-3.0198,7.634;6.5615,-3.7504,4.9219;6.5812,-4.2875,5.8613;6.6742,-4.4547,3.7307;6.792,-5.5316,3.7513;6.619,-3.7899,2.514;6.6835,-4.356,1.5935;6.4619,-2.4042,2.4598;6.3239,-1.6975,1.1209;6.3287,-.6223,1.3018;4.9728,-2.0458,.4768;4.9084,-3.1132,.2524;4.8396,-1.4964,-.4572;4.1453,-1.7958,1.1439;7.4898,-2.0045,.1726;7.5183,-3.0596,-.108;8.4502,-1.753,.6286;7.3892,-1.4234,-.7475;4.2593,2.6672,3.5835;4.008,3.3077,2.3595;2.9919,4.2609,2.3336;2.7584,4.7729,1.4099;2.2594,4.5548,3.4772;1.4654,5.2906,3.4327;2.5315,3.9058,4.6706;1.9459,4.1382,5.5508;3.5411,2.9448,4.7532;3.8101,2.238,6.073;4.6271,1.5323,5.9222;4.2596,3.2301,7.1554;5.144,3.7895,6.8408;4.5053,2.698,8.0779;3.4728,3.9514,7.3883;2.5874,1.4302,6.5316;1.7325,2.08,6.7305;2.8156,.8876,7.4519;2.2809,.7031,5.7781;4.7569,2.9149,1.0938;5.7478,2.5615,1.3849;4.9657,4.0782,.1191;4.0263,4.4082,-.3297;5.6191,3.7636,-.6978;5.4274,4.9382,.6096;4.038,1.7459,.4005;3.9302,.8941,1.0716;4.5965,1.4214,-.4809;3.0379,2.0445,.0802;4.7442,-1.8194,6.7199;4.0153,-1.5216,5.9636;4.5584,-1.2308,7.6215;4.5633,-2.8704,6.9579;1.589,-1.2574,3.6359;.2417,-1.4293,1.6066;1.1156,-.6707,.609;-.8041,-1.3793,1.2941;.5342,-2.4806,1.6049;2.1186,-.5474,1.0234;.722,.3363,.4494;1.2159,-1.3924,-.7359;.209,-1.6065,-1.1112;1.6998,-2.3636,-.5856;1.9877,-.591,-1.7825;.38,-.9877,3.0905;-.6737,-1.8061,3.9128;.02,.5353,3.2248;-1.1039,.8789,2.5486;-.1583,.9264,4.5043;1.0149,1.3064,2.7297;-1.9568,-1.5192,3.5675;-.5063,-3.1307,3.7041;-.5734,-1.609,5.2389;2.0647,-1.1359,-2.7268;1.4958,.3638,-1.9891;3.0014,-.3699,-1.4414;/R:/0/N:77,13,63,26,30,45,49,55,59,74,69,19,38,17,21,40,36,68,9,7,4,24,43,53,12,23,42,35,11,34,6,78,79,80,1,84,85,86,81,82,83,3,2,67/E:(2,3,4,5,6,7,8,9)(12,13)(14,15,16,17)(19,20)(21,22,23,24)(25,26,27,28)(29,30)(33,34)(36,37,38,39,40,41)(42,43)/CRV:12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="3">/aplic/Gaussian/g16b01_iqtc09/g16/l1.exe "/scratch/2362732.1.iqtc09.q/Gau-4454.inp" -scrdir="/scratch/2362732.1.iqtc09.q/"</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=13000MB</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=6</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">#p b3lyp/gen scrf=(smd,solvent=1,4-dioxane) nosymm cphf=conver=7 empir</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/38=1,172=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=7,11=2,25=1,27=11,30=1,70=32201,72=31,74=-5,75=-5,124=31/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,38=5,53=31,87=11/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/7=2,8=2,9=2,10=2,28=1,87=11/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/5=1,9=1/99</scalar>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">Title</scalar>
                  </module>
                  <module cmlx:templateRef="l101.isotope2">
                     <array cmlx:templateRef="atom"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="89">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</array>
                     <array cmlx:templateRef="iatwgt"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="89">63 14 14 12 1 12 12 1 12 1 12 12 12 1 1 1 12 1 12 1 12 1 12 12 1 12 1 1 1 12 1 1 1 12 12 12 1 12 1 12 1 12 12 1 12 1 1 1 12 1 1 1 12 1 12 1 1 1 12 1 1 1 12 1 1 1 16 12 12 1 1 1 1 12 1 1 12 12 12 12 19 19 19 19 19 19 1 1 1</array>
                     <array cmlx:templateRef="atmwgt"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="89">62.9295992 14.0030740 14.0030740 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 15.9949146 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 12.0000000 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 1.0078250 1.0078250 1.0078250</array>
                     <array cmlx:templateRef="nucspn"
                            dataType="xsd:integer"
                            dictRef="x:x"
                            size="89">3 2 2 0 1 0 0 1 0 1 0 0 0 1 1 1 0 1 0 1 0 1 0 0 1 0 1 1 1 0 1 1 1 0 0 0 1 0 1 0 1 0 0 1 0 1 1 1 0 1 1 1 0 1 0 1 1 1 0 1 1 1 0 1 1 1 0 0 0 1 1 1 1 0 1 1 0 0 0 0 1 1 1 1 1 1 1 1 1</array>
                     <array cmlx:templateRef="atzeff"
                            dataType="xsd:double"
                            dictRef="x:x"
                            size="89">-0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000</array>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">(Enter /aplic/Gaussian/g16b01_iqtc09/g16/l101.exe)</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l302.basis" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="basis">
                     <array dataType="xsd:string" dictRef="g:basis" size="11">NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="5">One-electron integrals computed using PRISM.</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="8">NBasis= 2444 RedAO= T EigKep= 1.08D-06 NBF= 2444</array>
                     <array dataType="xsd:string" dictRef="g:basis" size="7">NBsUse= 2412 1.00D-06 EigRej= 8.70D-07 NBFU= 2412</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l301">
                  <module cmlx:templateRef="l301.basis2">
                     <scalar dataType="xsd:string" dictRef="cc:diffuse">(5D, 7F)</scalar>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="45">5 8 10 14 15 16 18 20 22 25 27 28 29 31 32 33 37 39 41 44 46 47 48 50 51 52 54 56 57 58 60 61 62 64 65 66 70 71 72 73 75 76 87 88 89</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">3</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="3">3.4061341000e+01 5.1235746000e+00 1.1646626000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="3">6.0251978000e-03 4.5021094000e-02 2.0189726000e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.2723041000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0307241000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.4070000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.8800000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.5774129632e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0570000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="34">4 6 7 9 11 12 13 17 19 21 23 24 26 30 34 35 36 38 40 42 43 45 49 53 55 59 63 68 69 74 77 78 79 80</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">1.3575349682e+04 2.0352333680e+03 4.6322562359e+02 1.3120019598e+02 4.2853015891e+01 1.5584185766e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.2245814352e-04 1.7232738252e-03 8.9255715314e-03 3.5727984502e-02 1.1076259931e-01 2.4295627626e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">6.2067138508e+00 2.5764896527e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">4.1440263448e-01 2.3744968655e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.7696339419e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.2972831358e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.5164440028e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.8475401370e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">3.4697232244e+01 7.9582622826e+00 2.3780826883e+00 8.1433208183e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">5.3333657805e-03 3.5864109092e-02 1.4215873329e-01 3.4270471845e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.8887547253e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.6445822433e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0056823671e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.4955789874e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0970000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.1800000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.0985336424e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">7.6100000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">2 3</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">1.9730800647e+04 2.9578958745e+03 6.7322133595e+02 1.9068249494e+02 6.2295441898e+01 2.2654161182e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.1887984991e-04 1.6960708803e-03 8.7954603538e-03 3.5359382605e-02 1.1095789217e-01 2.4982972552e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">8.9791477428e+00 3.6863002370e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">4.0623896148e-01 2.4338217176e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">8.4660076805e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.3647133771e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.3647653675e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.8441605847e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">4.9200380510e+01 1.1346790537e+01 3.4273972411e+00 1.1785525134e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">5.5552416751e-03 3.8052379723e-02 1.4953671029e-01 3.4949305230e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.1642204972e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.5843153697e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.4260826011e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.4428771672e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.6540000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.6900000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.2829642058e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0930000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">67</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">2.7032382631e+04 4.0523871392e+03 9.2232722710e+02 2.6124070989e+02 8.5354641351e+01 3.1035035245e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.1726302465e-04 1.6838662199e-03 8.7395616265e-03 3.5239968808e-02 1.1153519115e-01 2.5588953961e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">1.2260860728e+01 4.9987076005e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">3.9768730901e-01 2.4627849430e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.1703108158e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.6474740994e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.8504536357e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">7.0288026270e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">6.3274954801e+01 1.4627049379e+01 4.4501223456e+00 1.5275799647e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">6.0685103418e-03 4.1912575824e-02 1.6153841088e-01 3.5706951311e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.2935117943e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.4794207502e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.7478421270e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.4446069663e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.1112745706e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.3140000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.4500000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.4696477366e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.4280000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">81 82 83 84 85 86</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">3.5479100441e+04 5.3184728983e+03 1.2104810975e+03 3.4285518140e+02 1.1201943181e+02 4.0714740248e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.1545014888e-04 1.6700686527e-03 8.6733211476e-03 3.5049933175e-02 1.1165320133e-01 2.5988506647e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">1.6039678111e+01 6.5038186740e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">3.9422966880e-01 2.4998238551e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.5440477509e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.1223452862e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.4027979698e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.0918446478e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">8.0233900483e+01 1.8594010743e+01 5.6867902653e+00 1.9511006294e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">6.3685999134e-03 4.4303143530e-02 1.6867248708e-01 3.6166346255e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">6.6970211298e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">4.4202901491e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.1651300410e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.4319875730e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">5.9613282472e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.1070000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">8.5500000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.8608388111e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.9170000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="centers">
                        <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">1</array>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">8</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="8">3.7751879923e+05 5.6589984311e+04 1.2878711706e+04 3.6453752143e+03 1.1870072945e+03 4.2646421902e+02 1.6570660164e+02 6.5598942707e+01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="8">2.2811766128e-04 1.7688035931e-03 9.1993460227e-03 3.7411016434e-02 1.2189873737e-01 2.8983900714e-01 4.1531872174e-01 2.1905799287e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">4.1441265811e+02 1.2832056039e+02 2.0622089750e+01 8.7821226045e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">-2.4682525053e-02 -1.1716827406e-01 5.5301315941e-01 5.2242718609e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">2</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="2">1.3741372006e+01 2.2431246833e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="2">-2.2736061821e-01 7.1761210873e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">8.9370549079e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.0836699534e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">S</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.8806178058e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">6</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="6">2.0347596692e+03 4.8190468106e+02 1.5467482963e+02 5.7740576969e+01 2.3099052811e+01 9.3882478591e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="6">2.3524822298e-03 1.9134070751e-02 9.0171105278e-02 2.6063284735e-01 4.2093485770e-01 2.4344615121e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">3</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="3">3.7596171210e+01 5.1240690810e+00 2.0119996085e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="3">-2.8991094530e-02 5.4919083831e-01 9.3793330488e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">7.3860686002e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.7110000000e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.9540000000e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">P</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.4015997020e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">4</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="4">7.4129460637e+01 2.1359842587e+01 7.4995240537e+00 2.7601394169e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="4">1.4363216676e-02 8.6628177096e-02 2.5631430541e-01 4.0374062368e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">9.5362061236e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">3.9427042447e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">2.8420862520e-01</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">2.3091146816e-01</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">D</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">8.5000000000e-02</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">4.9360000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">F</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">1.2090000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                        <list cmlx:templateRef="shell">
                           <scalar dataType="xsd:string" dictRef="x:itype">G</scalar>
                           <scalar dataType="xsd:integer" dictRef="x:ngauss">1</scalar>
                           <scalar dataType="xsd:double" dictRef="x:scale">1.00</scalar>
                           <array dataType="xsd:double" dictRef="x:exponent" size="1">3.2450000000e+00</array>
                           <array dataType="xsd:double" dictRef="x:coeficient" size="1">1.0000000000e+00</array>
                        </list>
                     </module>
                     <module cmlx:templateRef="ernie">
                        <scalar dataType="xsd:double" dictRef="g:thresh">0.10000e-02</scalar>
                        <scalar dataType="xsd:double" dictRef="g:tol">0.10000e-05</scalar>
                        <scalar dataType="xsd:string" dictRef="g:strict">F</scalar>
                     </module>
                     <scalar dataType="xsd:string" dictRef="g:misc">IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000</scalar>
                     <scalar dataType="xsd:string" dictRef="g:misc">IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=131</scalar>
                     <module cmlx:templateRef="natoms">
                        <list cmlx:templateRef="natoms">
                           <list>
                              <scalar dataType="xsd:integer" dictRef="cc:natoms">89</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">89</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">89</scalar>
                              <scalar dataType="xsd:double" dictRef="g:sfac">1.00e+00</scalar>
                              <scalar dataType="xsd:integer" dictRef="g:natfmm">60</scalar>
                              <scalar dataType="xsd:string" dictRef="g:big">T</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l301.dispersion">
                     <scalar dataType="xsd:string" dictRef="g:empdispersion">Grimme-D3</scalar>
                     <scalar dataType="xsd:double" dictRef="g:dispenergy" units="nonsi:hartree">-0.1419034600</scalar>
                  </module>
                  <module cmlx:templateRef="l301.pcm.standard">
                     <scalar dataType="xsd:string" dictRef="g:model">PCM</scalar>
                     <scalar dataType="xsd:string" dictRef="g:atomicradii">SMD-Coulomb.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:polarcharges">Total charges</scalar>
                     <scalar dataType="xsd:string" dictRef="g:chargecompensation">None</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solutionmethod">On-the-fly selection</scalar>
                     <scalar dataType="xsd:string" dictRef="g:solvent">1,4-Dioxane</scalar>
                     <scalar dataType="xsd:double" dictRef="g:eps">2.209900</scalar>
                     <scalar dataType="xsd:double" dictRef="g:epsinfinity">2.023222</scalar>
                  </module>
               </module>
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.orient">
                     <molecule cmlx:templateRef="atom"
                               formalCharge="0"
                               id="mol.l202.orient"
                               spinMultiplicity="1">
                        <atomArray>
                           <atom elementType="Cu"
                                 id="a1"
                                 x3="3.26444"
                                 y3="-0.475432"
                                 z3="3.492218">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a2"
                                 x3="5.270621"
                                 y3="1.64081"
                                 z3="3.62297">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a3"
                                 x3="6.195631"
                                 y3="-0.290464"
                                 z3="3.655866">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="6.184528"
                                 y3="-1.609208"
                                 z3="6.225224">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a5"
                                 x3="6.30653"
                                 y3="-0.544169"
                                 z3="6.025112">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="4.983536"
                                 y3="0.313383"
                                 z3="3.566308">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a7"
                                 x3="6.634436"
                                 y3="1.858745"
                                 z3="3.753719">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="7.050259"
                                 y3="2.848321"
                                 z3="3.819532">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a9"
                                 x3="7.219806"
                                 y3="0.639278"
                                 z3="3.768955">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a10"
                                 x3="8.250729"
                                 y3="0.345176"
                                 z3="3.853497">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a11"
                                 x3="6.370876"
                                 y3="-1.719323"
                                 z3="3.678353">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a12"
                                 x3="6.402298"
                                 y3="-2.364645"
                                 z3="4.92305">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="7.203052"
                                 y3="-1.983584"
                                 z3="7.30851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a14"
                                 x3="7.063569"
                                 y3="-1.349926"
                                 z3="8.187608">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a15"
                                 x3="8.228536"
                                 y3="-1.85214"
                                 z3="6.955399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a16"
                                 x3="7.089577"
                                 y3="-3.019824"
                                 z3="7.63399">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="6.561484"
                                 y3="-3.750399"
                                 z3="4.92187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="6.58123"
                                 y3="-4.287513"
                                 z3="5.861255">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a19"
                                 x3="6.674204"
                                 y3="-4.454728"
                                 z3="3.730657">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="6.792048"
                                 y3="-5.531587"
                                 z3="3.751247">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a21"
                                 x3="6.619003"
                                 y3="-3.78994"
                                 z3="2.514025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a22"
                                 x3="6.683527"
                                 y3="-4.355997"
                                 z3="1.593529">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a23"
                                 x3="6.46192"
                                 y3="-2.40422"
                                 z3="2.459848">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a24"
                                 x3="6.323954"
                                 y3="-1.697472"
                                 z3="1.120911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a25"
                                 x3="6.328678"
                                 y3="-0.622311"
                                 z3="1.301854">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="4.97279"
                                 y3="-2.045764"
                                 z3="0.476797">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="4.908425"
                                 y3="-3.11318"
                                 z3="0.252403">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="4.839618"
                                 y3="-1.496412"
                                 z3="-0.457185">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="4.14534"
                                 y3="-1.795809"
                                 z3="1.143932">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a30"
                                 x3="7.489775"
                                 y3="-2.004463"
                                 z3="0.172579">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="7.518309"
                                 y3="-3.059631"
                                 z3="-0.108034">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="8.450149"
                                 y3="-1.752952"
                                 z3="0.628607">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="7.389215"
                                 y3="-1.423417"
                                 z3="-0.747456">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a34"
                                 x3="4.259343"
                                 y3="2.667161"
                                 z3="3.583458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a35"
                                 x3="4.00805"
                                 y3="3.30772"
                                 z3="2.359478">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a36"
                                 x3="2.991909"
                                 y3="4.260908"
                                 z3="2.333628">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="2.758348"
                                 y3="4.772891"
                                 z3="1.409922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="2.25941"
                                 y3="4.554792"
                                 z3="3.47718">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a39"
                                 x3="1.465422"
                                 y3="5.290608"
                                 z3="3.432652">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a40"
                                 x3="2.531461"
                                 y3="3.90583"
                                 z3="4.670589">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="1.945893"
                                 y3="4.138151"
                                 z3="5.550838">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a42"
                                 x3="3.54108"
                                 y3="2.944831"
                                 z3="4.753192">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a43"
                                 x3="3.810128"
                                 y3="2.238014"
                                 z3="6.072992">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="4.627117"
                                 y3="1.532276"
                                 z3="5.922189">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a45"
                                 x3="4.259603"
                                 y3="3.230116"
                                 z3="7.15541">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="5.143998"
                                 y3="3.78951"
                                 z3="6.840759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a47"
                                 x3="4.505267"
                                 y3="2.697953"
                                 z3="8.077911">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="3.472844"
                                 y3="3.951356"
                                 z3="7.388327">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a49"
                                 x3="2.587408"
                                 y3="1.430188"
                                 z3="6.531581">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="1.732537"
                                 y3="2.079994"
                                 z3="6.730485">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a51"
                                 x3="2.815586"
                                 y3="0.887567"
                                 z3="7.451872">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a52"
                                 x3="2.280949"
                                 y3="0.703124"
                                 z3="5.77811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a53"
                                 x3="4.756953"
                                 y3="2.914864"
                                 z3="1.093796">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a54"
                                 x3="5.747804"
                                 y3="2.561549"
                                 z3="1.384922">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a55"
                                 x3="4.965651"
                                 y3="4.078239"
                                 z3="0.119123">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a56"
                                 x3="4.0263"
                                 y3="4.40815"
                                 z3="-0.329696">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a57"
                                 x3="5.61914"
                                 y3="3.763608"
                                 z3="-0.697819">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a58"
                                 x3="5.427357"
                                 y3="4.938145"
                                 z3="0.609625">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a59"
                                 x3="4.037988"
                                 y3="1.745887"
                                 z3="0.400458">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a60"
                                 x3="3.930194"
                                 y3="0.89405"
                                 z3="1.071548">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a61"
                                 x3="4.596496"
                                 y3="1.421398"
                                 z3="-0.48091">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a62"
                                 x3="3.037861"
                                 y3="2.044512"
                                 z3="0.080237">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a63"
                                 x3="4.744229"
                                 y3="-1.819376"
                                 z3="6.719852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a64"
                                 x3="4.015276"
                                 y3="-1.521635"
                                 z3="5.963596">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a65"
                                 x3="4.558449"
                                 y3="-1.230822"
                                 z3="7.621511">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a66"
                                 x3="4.563341"
                                 y3="-2.870385"
                                 z3="6.957863">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="O"
                                 id="a67"
                                 x3="1.588963"
                                 y3="-1.257424"
                                 z3="3.635935">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a68"
                                 x3="0.241659"
                                 y3="-1.429298"
                                 z3="1.606633">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a69"
                                 x3="1.115624"
                                 y3="-0.670672"
                                 z3="0.608977">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a70"
                                 x3="-0.804105"
                                 y3="-1.379313"
                                 z3="1.2941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a71"
                                 x3="0.534234"
                                 y3="-2.480564"
                                 z3="1.604852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a72"
                                 x3="2.118629"
                                 y3="-0.547379"
                                 z3="1.023389">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a73"
                                 x3="0.722049"
                                 y3="0.336255"
                                 z3="0.449345">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a74"
                                 x3="1.215853"
                                 y3="-1.39244"
                                 z3="-0.735945">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a75"
                                 x3="0.208955"
                                 y3="-1.606481"
                                 z3="-1.11116">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a76"
                                 x3="1.699791"
                                 y3="-2.363618"
                                 z3="-0.585574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a77"
                                 x3="1.987683"
                                 y3="-0.590958"
                                 z3="-1.782446">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a78"
                                 x3="0.380015"
                                 y3="-0.987701"
                                 z3="3.090466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a79"
                                 x3="-0.673728"
                                 y3="-1.806088"
                                 z3="3.912765">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a80"
                                 x3="0.020043"
                                 y3="0.535266"
                                 z3="3.224811">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a81"
                                 x3="-1.103889"
                                 y3="0.878907"
                                 z3="2.548574">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a82"
                                 x3="-0.158281"
                                 y3="0.926443"
                                 z3="4.504326">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a83"
                                 x3="1.014931"
                                 y3="1.306441"
                                 z3="2.729709">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a84"
                                 x3="-1.956849"
                                 y3="-1.519248"
                                 z3="3.567482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a85"
                                 x3="-0.506325"
                                 y3="-3.130694"
                                 z3="3.704151">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="F"
                                 id="a86"
                                 x3="-0.57339"
                                 y3="-1.609037"
                                 z3="5.238909">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a87"
                                 x3="2.064679"
                                 y3="-1.135912"
                                 z3="-2.726814">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a88"
                                 x3="1.495779"
                                 y3="0.36376"
                                 z3="-1.989113">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a89"
                                 x3="3.001428"
                                 y3="-0.36993"
                                 z3="-1.441364">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a67" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a2 a34" order="S"/>
                           <bond atomRefs2="a2 a7" order="S"/>
                           <bond atomRefs2="a2 a6" order="S"/>
                           <bond atomRefs2="a3 a6" order="S"/>
                           <bond atomRefs2="a3 a9" order="S"/>
                           <bond atomRefs2="a3 a11" order="S"/>
                           <bond atomRefs2="a4 a12" order="S"/>
                           <bond atomRefs2="a4 a63" order="S"/>
                           <bond atomRefs2="a4 a13" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a7 a9" order="S"/>
                           <bond atomRefs2="a7 a8" order="S"/>
                           <bond atomRefs2="a9 a10" order="S"/>
                           <bond atomRefs2="a11 a23" order="S"/>
                           <bond atomRefs2="a11 a12" order="S"/>
                           <bond atomRefs2="a12 a17" order="S"/>
                           <bond atomRefs2="a13 a15" order="S"/>
                           <bond atomRefs2="a13 a16" order="S"/>
                           <bond atomRefs2="a13 a14" order="S"/>
                           <bond atomRefs2="a17 a19" order="S"/>
                           <bond atomRefs2="a17 a18" order="S"/>
                           <bond atomRefs2="a19 a20" order="S"/>
                           <bond atomRefs2="a19 a21" order="S"/>
                           <bond atomRefs2="a21 a23" order="S"/>
                           <bond atomRefs2="a21 a22" order="S"/>
                           <bond atomRefs2="a23 a24" order="S"/>
                           <bond atomRefs2="a24 a26" order="S"/>
                           <bond atomRefs2="a24 a30" order="S"/>
                           <bond atomRefs2="a24 a25" order="S"/>
                           <bond atomRefs2="a26 a27" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a26 a29" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a30 a31" order="S"/>
                           <bond atomRefs2="a30 a32" order="S"/>
                           <bond atomRefs2="a34 a42" order="S"/>
                           <bond atomRefs2="a34 a35" order="S"/>
                           <bond atomRefs2="a35 a36" order="S"/>
                           <bond atomRefs2="a35 a53" order="S"/>
                           <bond atomRefs2="a36 a38" order="S"/>
                           <bond atomRefs2="a36 a37" order="S"/>
                           <bond atomRefs2="a38 a40" order="S"/>
                           <bond atomRefs2="a38 a39" order="S"/>
                           <bond atomRefs2="a40 a41" order="S"/>
                           <bond atomRefs2="a40 a42" order="S"/>
                           <bond atomRefs2="a42 a43" order="S"/>
                           <bond atomRefs2="a43 a49" order="S"/>
                           <bond atomRefs2="a43 a44" order="S"/>
                           <bond atomRefs2="a43 a45" order="S"/>
                           <bond atomRefs2="a45 a47" order="S"/>
                           <bond atomRefs2="a45 a46" order="S"/>
                           <bond atomRefs2="a45 a48" order="S"/>
                           <bond atomRefs2="a49 a51" order="S"/>
                           <bond atomRefs2="a49 a50" order="S"/>
                           <bond atomRefs2="a49 a52" order="S"/>
                           <bond atomRefs2="a53 a55" order="S"/>
                           <bond atomRefs2="a53 a54" order="S"/>
                           <bond atomRefs2="a53 a59" order="S"/>
                           <bond atomRefs2="a55 a58" order="S"/>
                           <bond atomRefs2="a55 a57" order="S"/>
                           <bond atomRefs2="a55 a56" order="S"/>
                           <bond atomRefs2="a59 a62" order="S"/>
                           <bond atomRefs2="a59 a60" order="S"/>
                           <bond atomRefs2="a59 a61" order="S"/>
                           <bond atomRefs2="a63 a66" order="S"/>
                           <bond atomRefs2="a63 a65" order="S"/>
                           <bond atomRefs2="a63 a64" order="S"/>
                           <bond atomRefs2="a67 a78" order="S"/>
                           <bond atomRefs2="a68 a70" order="S"/>
                           <bond atomRefs2="a68 a78" order="S"/>
                           <bond atomRefs2="a68 a71" order="S"/>
                           <bond atomRefs2="a68 a69" order="S"/>
                           <bond atomRefs2="a69 a73" order="S"/>
                           <bond atomRefs2="a69 a74" order="S"/>
                           <bond atomRefs2="a69 a72" order="S"/>
                           <bond atomRefs2="a74 a76" order="S"/>
                           <bond atomRefs2="a74 a75" order="S"/>
                           <bond atomRefs2="a74 a77" order="S"/>
                           <bond atomRefs2="a77 a89" order="S"/>
                           <bond atomRefs2="a77 a87" order="S"/>
                           <bond atomRefs2="a77 a88" order="S"/>
                           <bond atomRefs2="a78 a80" order="S"/>
                           <bond atomRefs2="a78 a79" order="S"/>
                           <bond atomRefs2="a79 a86" order="S"/>
                           <bond atomRefs2="a79 a85" order="S"/>
                           <bond atomRefs2="a79 a84" order="S"/>
                           <bond atomRefs2="a80 a83" order="S"/>
                           <bond atomRefs2="a80 a81" order="S"/>
                           <bond atomRefs2="a80 a82" order="S"/>
                        </bondArray>
                        <formula concise="C34H45CuF6N2O"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">629.9130191999994</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C27H36N2.C7H9F6O.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-2-3-4-5(14,6(8,9)10)7(11,12)13;/h9-16,18-21H,1-8H3;2-4H2,1H3;/q;-1;+1/rC34H45CuF6N2O/c1-10-11-18-32(33(36,37)38,34(39,40)41)44-35-31-42(29-25(21(2)3)14-12-15-26(29)22(4)5)19-20-43(31)30-27(23(6)7)16-13-17-28(30)24(8)9/h12-17,19-24H,10-11,18H2,1-9H3">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:13,63,26,30,45,49,55,59,19,38,17,21,40,36,9,7,6,4,24,43,53,12,23,42,35,11,34,3,2;77,74,69,68,78,79,80,84,85,86,81,82,83,67;1/E:(1,2,3,4,5,6,7,8)(9,10)(11,12,13,14)(15,16)(18,19,20,21)(22,23,24,25)(26,27)(28,29);(6,7)(8,9,10,11,12,13);/CRV:9.3,10.3,11.3,12.3,13.3,14.3,15.3,16.3,17.2,22.3,23.3,24.3,25.3,26.3,27.3;14-1;/rA:89nCuNNCHC3C3HC3HC3C3CHHHC3HC3HC3HC3CHCHHHCHHHC3C3C3HC3HC3HC3CHCHHHCHHHCHCHHHCHHHCHHHOCCHHHHCHHCCCCFFFFFFHHH/rB:;;;s4;s1s2s3;s2;s7;s3s7;s9;s3;s4s11;s4;s13;s13;s13;s12;s17;s17;s19;s19;s21;s11s21;s23;s24;s24;s26;s26;s26;s24;s30;s30;s30;s2;s34;s35;s36;s36;s38;s38;s40;s34s40;s42;s43;s43;s45;s45;s45;s43;s49;s49;s49;s35;s53;s53;s55;s55;s55;s53;s59;s59;s59;s4;s63;s63;s63;s1;;s68;s68;s68;s69;s69;s69;s74;s74;s74;s67s68;s78;s78;s80;s80;s80;s79;s79;s79;s77;s77;s77;/rC:3.2644,-.4754,3.4922;5.2706,1.6408,3.623;6.1956,-.2905,3.6559;6.1845,-1.6092,6.2252;6.3065,-.5442,6.0251;4.9835,.3134,3.5663;6.6344,1.8587,3.7537;7.0503,2.8483,3.8195;7.2198,.6393,3.769;8.2507,.3452,3.8535;6.3709,-1.7193,3.6784;6.4023,-2.3646,4.923;7.2031,-1.9836,7.3085;7.0636,-1.3499,8.1876;8.2285,-1.8521,6.9554;7.0896,-3.0198,7.634;6.5615,-3.7504,4.9219;6.5812,-4.2875,5.8613;6.6742,-4.4547,3.7307;6.792,-5.5316,3.7512;6.619,-3.7899,2.514;6.6835,-4.356,1.5935;6.4619,-2.4042,2.4598;6.324,-1.6975,1.1209;6.3287,-.6223,1.3019;4.9728,-2.0458,.4768;4.9084,-3.1132,.2524;4.8396,-1.4964,-.4572;4.1453,-1.7958,1.1439;7.4898,-2.0045,.1726;7.5183,-3.0596,-.108;8.4501,-1.753,.6286;7.3892,-1.4234,-.7475;4.2593,2.6672,3.5835;4.008,3.3077,2.3595;2.9919,4.2609,2.3336;2.7583,4.7729,1.4099;2.2594,4.5548,3.4772;1.4654,5.2906,3.4327;2.5315,3.9058,4.6706;1.9459,4.1382,5.5508;3.5411,2.9448,4.7532;3.8101,2.238,6.073;4.6271,1.5323,5.9222;4.2596,3.2301,7.1554;5.144,3.7895,6.8408;4.5053,2.698,8.0779;3.4728,3.9514,7.3883;2.5874,1.4302,6.5316;1.7325,2.08,6.7305;2.8156,.8876,7.4519;2.2809,.7031,5.7781;4.757,2.9149,1.0938;5.7478,2.5615,1.3849;4.9657,4.0782,.1191;4.0263,4.4082,-.3297;5.6191,3.7636,-.6978;5.4274,4.9381,.6096;4.038,1.7459,.4005;3.9302,.8941,1.0715;4.5965,1.4214,-.4809;3.0379,2.0445,.0802;4.7442,-1.8194,6.7199;4.0153,-1.5216,5.9636;4.5584,-1.2308,7.6215;4.5633,-2.8704,6.9579;1.589,-1.2574,3.6359;.2417,-1.4293,1.6066;1.1156,-.6707,.609;-.8041,-1.3793,1.2941;.5342,-2.4806,1.6049;2.1186,-.5474,1.0234;.722,.3363,.4493;1.2159,-1.3924,-.7359;.209,-1.6065,-1.1112;1.6998,-2.3636,-.5856;1.9877,-.591,-1.7824;.38,-.9877,3.0905;-.6737,-1.8061,3.9128;.02,.5353,3.2248;-1.1039,.8789,2.5486;-.1583,.9264,4.5043;1.0149,1.3064,2.7297;-1.9568,-1.5192,3.5675;-.5063,-3.1307,3.7042;-.5734,-1.609,5.2389;2.0647,-1.1359,-2.7268;1.4958,.3638,-1.9891;3.0014,-.3699,-1.4414;/R:/0/N:77,13,63,26,30,45,49,55,59,74,69,19,38,17,21,40,36,68,9,7,4,24,43,53,12,23,42,35,11,34,6,78,79,80,1,84,85,86,81,82,83,3,2,67/E:(2,3,4,5,6,7,8,9)(12,13)(14,15,16,17)(19,20)(21,22,23,24)(25,26,27,28)(29,30)(33,34)(36,37,38,39,40,41)(42,43)/CRV:12.3,13.3,14.3,15.3,16.3,17.3,19.3,20.3,25.3,26.3,27.3,28.3,29.3,30.3,31.3</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.0823823 0.0655095 0.0607696</array>
                  </module>
               </module>
               <module cmlx:templateRef="l302">
                  <module cmlx:templateRef="l302.basis2">
                     <list cmlx:templateRef="basis">
                        <array dataType="xsd:string" dictRef="g:basis" size="5">Precomputing XC quadrature grid using</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 1.00D-11.</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="9">Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32</array>
                        <array dataType="xsd:string" dictRef="g:basis" size="10">NSgBfM= 2629 2624 2627 2628 2629 MxSgAt= 89 MxSgA2= 89.</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l303.basis">
                  <list cmlx:templateRef="l303">
                     <scalar dataType="xsd:integer" dictRef="g:dipdrv">1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l502">
                  <scalar dataType="xsd:string" dictRef="g:l502.type">Closed</scalar>
                  <module cmlx:templateRef="l502.cycle">
                     <list cmlx:templateRef="cycle">
                        <list>
                           <scalar dataType="xsd:integer" dictRef="cc:cycle">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:pass">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="g:idiag">1</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="l502.e">
                        <list cmlx:templateRef="l502.e">
                           <scalar dataType="xsd:double" dictRef="g:l502.e">-3745.73399076545</scalar>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3746.35890373408</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.624912968629</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3747.98210912923</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-1.623205395150</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.04989833792</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.067789208688</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16035670924</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.110458371324</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16606298827</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.005706279035</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16729421898</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.001231230708</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16739144108</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000097222099</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740517653</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000013735445</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740592018</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000743657</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740609119</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000171007</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740610679</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000015594</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740610344</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000003351</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612397</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000020538</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613129</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000007316</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612501</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000006276</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612622</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001210</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612414</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002083</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612940</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000005264</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613263</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000003221</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612717</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000005452</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612060</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000006576</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612186</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001262</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612196</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000096</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612362</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001664</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612417</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000549</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612283</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001342</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612396</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001131</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612336</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000598</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612269</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000673</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612203</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000657</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612282</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000789</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612118</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001646</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612118</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000004</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612119</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000011</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612280</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001613</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740611947</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000003338</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612216</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002692</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612186</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000300</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612218</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000320</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613065</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000008476</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613129</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000635</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612980</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001492</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613125</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001452</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613115</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000102</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613100</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000147</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612962</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001381</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612951</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000111</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612991</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000404</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612847</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001442</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612798</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000486</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612901</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001028</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612697</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002039</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612468</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002296</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612507</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000397</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612248</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002594</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612435</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001872</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612441</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000060</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612445</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000042</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612385</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000602</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612862</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000004771</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612805</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000571</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612914</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001088</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613058</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001441</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612932</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001264</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612886</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000453</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612957</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000704</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613066</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001091</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612981</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000849</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612981</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000000</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612852</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001284</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740613131</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002781</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612977</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001539</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612890</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000864</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612547</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000003431</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612781</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002334</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612609</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001721</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612523</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000859</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612687</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001648</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612709</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000220</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612719</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000095</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612604</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001151</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612733</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001290</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612529</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002037</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612703</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001743</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612824</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001208</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612770</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000538</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612992</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002214</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612935</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000564</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612849</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000860</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612915</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000662</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612839</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000766</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612887</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000486</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612812</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000749</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612642</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001706</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612710</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000680</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612782</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000726</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612866</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000839</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612807</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000593</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612873</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000664</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612615</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002587</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612520</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000946</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612319</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000002012</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612467</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001484</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612361</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001066</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612416</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000549</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612530</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001142</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612649</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001186</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612271</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000003780</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612363</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000920</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612315</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000475</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612315</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000002</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612528</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002134</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612402</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001264</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612400</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000020</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612833</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000004335</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612421</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000004125</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612376</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000000447</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612180</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">0.000000001965</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612321</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001417</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612615</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000002932</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612770</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000001557</scalar>
                           </list>
                        </list>
                     </module>
                     <module cmlx:templateRef="l502.ediff">
                        <list cmlx:templateRef="l502.ediff">
                           <list>
                              <scalar dataType="xsd:double" dictRef="g:l502.e">-3748.16740612771</scalar>
                              <scalar dataType="xsd:double" dictRef="g:l502.deltae">-0.000000000004</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <module cmlx:templateRef="l502.footer">
                     <list cmlx:templateRef="scfdone">
                        <list>
                           <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-3748.16740613</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:ncycle">123</scalar>
                        </list>
                     </list>
                     <module cmlx:templateRef="scfdone">
                        <list cmlx:templateRef="scfdone">
                           <list>
                              <scalar dataType="xsd:double" dictRef="cc:kinener">3.735019713567e+03</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:potener">-2.324267483241e+04</scalar>
                              <scalar dataType="xsd:double" dictRef="cc:eener">8.565661460220e+03</scalar>
                           </list>
                        </list>
                     </module>
                  </module>
                  <list cmlx:templateRef="l502">
                     <scalar dataType="xsd:string" dictRef="g:l502">Using DIIS extrapolation, IDIIS=  1040.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">NGot=  1703936000 LenX=  1688634344 LenY=  1680997412</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on MAX density matrix=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Requested convergence on             energy=1.00D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">No special actions if energy rises.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502">Fock matrices will be formed incrementally for  20 cycles.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l502"/>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT2100440.799S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Fri Apr  1 12:00:31 2022</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal" dictRef="cc:userDefinedModule">
                     <array dataType="xsd:double" dictRef="g:alphaocc" size="172">-24.70156 -24.70155 -24.70008 -24.69803 -24.69700 -24.69557 -19.06487 -14.39160 -14.39133 -10.40566 -10.40200 -10.24722 -10.23528 -10.22469 -10.22386 -10.22379 -10.22167 -10.19286 -10.19273 -10.19085 -10.18983 -10.18429 -10.18424 -10.18365 -10.18066 -10.17995 -10.17703 -10.17697 -10.17672 -10.17384 -10.17305 -10.16276 -10.16158 -10.16137 -10.15954 -10.15835 -10.15831 -10.15755 -10.15607 -10.15600 -10.15279 -10.15012 -10.14993 -4.26929 -2.76622 -2.76091 -2.75865 -1.30181 -1.29500 -1.21405 -1.21362 -1.20838 -1.20783 -1.05782 -0.97057 -0.95463 -0.87894 -0.86133 -0.82213 -0.81974 -0.79751 -0.79505 -0.79170 -0.78829 -0.76073 -0.75821 -0.73734 -0.73228 -0.72974 -0.71260 -0.69564 -0.68793 -0.68592 -0.68527 -0.68080 -0.66571 -0.64964 -0.64553 -0.64015 -0.63625 -0.61273 -0.60569 -0.59907 -0.59037 -0.58834 -0.58266 -0.58132 -0.57955 -0.57646 -0.56738 -0.55608 -0.55381 -0.54779 -0.54543 -0.52128 -0.51409 -0.49778 -0.49399 -0.49291 -0.47259 -0.47005 -0.46856 -0.46704 -0.46114 -0.46023 -0.45645 -0.45502 -0.45433 -0.44931 -0.44654 -0.44315 -0.44198 -0.43905 -0.43849 -0.43708 -0.43247 -0.43076 -0.42974 -0.42400 -0.42178 -0.41818 -0.41521 -0.41469 -0.41199 -0.41069 -0.40803 -0.40590 -0.40381 -0.39814 -0.39267 -0.39179 -0.39126 -0.39065 -0.38750 -0.38583 -0.38329 -0.38281 -0.38109 -0.37722 -0.36763 -0.36442 -0.36212 -0.35596 -0.35313 -0.35005 -0.34888 -0.34644 -0.34293 -0.34063 -0.33917 -0.33665 -0.33482 -0.33048 -0.32795 -0.32638 -0.32563 -0.32337 -0.32087 -0.31600 -0.30530 -0.28366 -0.27623 -0.26549 -0.26093 -0.25893 -0.25174 -0.25005 -0.24913 -0.24761 -0.23647 -0.21481 -0.20950</array>
                     <array dataType="xsd:double" dictRef="g:alphavirt" size="2235">-0.02717 -0.02368 -0.02280 -0.01784 -0.01201 -0.00440 0.00415 0.00553 0.00801 0.01190 0.01991 0.02151 0.02291 0.02549 0.02735 0.03255 0.03631 0.03847 0.04157 0.04226 0.04505 0.04596 0.05034 0.05258 0.05581 0.05972 0.06109 0.06444 0.06662 0.06807 0.06950 0.07105 0.07514 0.07750 0.07944 0.08216 0.08495 0.08600 0.08893 0.09076 0.09144 0.09256 0.09451 0.09631 0.09881 0.10259 0.10519 0.10705 0.11021 0.11092 0.11261 0.11459 0.11608 0.11613 0.11755 0.12117 0.12134 0.12318 0.12450 0.12603 0.12675 0.12813 0.13242 0.13303 0.13511 0.13759 0.13937 0.14164 0.14494 0.14588 0.14780 0.14821 0.15030 0.15372 0.15666 0.15740 0.15983 0.16064 0.16304 0.16522 0.16594 0.16745 0.16911 0.17242 0.17277 0.17599 0.17619 0.17828 0.18068 0.18148 0.18378 0.18604 0.18803 0.18985 0.19082 0.19259 0.19338 0.19605 0.19825 0.20054 0.20128 0.20166 0.20298 0.20367 0.20688 0.20722 0.21018 0.21090 0.21198 0.21298 0.21375 0.21489 0.21611 0.21767 0.21849 0.22068 0.22170 0.22197 0.22414 0.22532 0.22786 0.22840 0.23060 0.23149 0.23286 0.23387 0.23471 0.23574 0.23741 0.23972 0.24048 0.24112 0.24339 0.24443 0.24516 0.24670 0.24761 0.24787 0.24969 0.25069 0.25088 0.25325 0.25434 0.25583 0.25670 0.25748 0.25881 0.26185 0.26279 0.26430 0.26678 0.26721 0.26768 0.26904 0.27081 0.27191 0.27233 0.27402 0.27491 0.27712 0.27720 0.28063 0.28151 0.28246 0.28456 0.28544 0.28641 0.28800 0.29037 0.29120 0.29253 0.29368 0.29595 0.29819 0.29893 0.29906 0.30062 0.30246 0.30317 0.30401 0.30515 0.30758 0.30832 0.30995 0.31112 0.31283 0.31351 0.31511 0.31567 0.31785 0.31990 0.32124 0.32194 0.32315 0.32428 0.32514 0.32689 0.32817 0.32934 0.33007 0.33142 0.33284 0.33339 0.33524 0.33794 0.33878 0.33984 0.34101 0.34370 0.34516 0.34538 0.34574 0.34811 0.34839 0.34991 0.35217 0.35261 0.35425 0.35646 0.35811 0.35863 0.35973 0.36125 0.36337 0.36441 0.36580 0.36884 0.36962 0.37082 0.37228 0.37303 0.37464 0.37594 0.37857 0.37916 0.38168 0.38212 0.38338 0.38509 0.38597 0.38691 0.38798 0.38942 0.39125 0.39390 0.39474 0.39548 0.39797 0.39866 0.40033 0.40129 0.40356 0.40549 0.40631 0.40683 0.40829 0.40919 0.41220 0.41402 0.41539 0.41599 0.41662 0.41954 0.41996 0.42108 0.42394 0.42543 0.42778 0.42909 0.42918 0.43190 0.43286 0.43460 0.43523 0.43659 0.43837 0.43912 0.44073 0.44180 0.44314 0.44440 0.44753 0.44785 0.45161 0.45396 0.45418 0.45690 0.45791 0.45909 0.46057 0.46174 0.46442 0.46583 0.46679 0.46849 0.46943 0.47142 0.47258 0.47413 0.47676 0.47949 0.48125 0.48325 0.48495 0.48541 0.48841 0.48954 0.49080 0.49389 0.49421 0.49743 0.49900 0.49957 0.50100 0.50336 0.50546 0.50643 0.50783 0.50907 0.51052 0.51115 0.51197 0.51335 0.51539 0.51620 0.51698 0.51889 0.52020 0.52301 0.52345 0.52468 0.52650 0.52798 0.52927 0.53159 0.53218 0.53414 0.53588 0.53749 0.53960 0.53998 0.54240 0.54283 0.54449 0.54551 0.54805 0.54973 0.55175 0.55243 0.55399 0.55698 0.56059 0.56155 0.56370 0.56510 0.56568 0.56744 0.56953 0.57073 0.57313 0.57401 0.57522 0.57877 0.58015 0.58080 0.58259 0.58403 0.58557 0.58732 0.58881 0.58961 0.59186 0.59239 0.59329 0.59510 0.59759 0.59852 0.60012 0.60029 0.60275 0.60390 0.60627 0.60684 0.61048 0.61212 0.61363 0.61469 0.61604 0.61729 0.62005 0.62096 0.62206 0.62241 0.62265 0.62673 0.62877 0.62934 0.63158 0.63328 0.63477 0.63516 0.63732 0.63850 0.63964 0.64132 0.64208 0.64453 0.64576 0.64675 0.64784 0.64820 0.65186 0.65371 0.65437 0.65569 0.65697 0.65834 0.66001 0.66153 0.66206 0.66281 0.66411 0.66522 0.66835 0.66897 0.67058 0.67120 0.67209 0.67324 0.67515 0.67677 0.67893 0.67977 0.68139 0.68242 0.68431 0.68499 0.68570 0.68792 0.68922 0.68966 0.69188 0.69407 0.69442 0.69664 0.69805 0.69919 0.69984 0.70070 0.70232 0.70380 0.70581 0.70734 0.70871 0.70886 0.70999 0.71237 0.71397 0.71636 0.71820 0.71835 0.71993 0.72136 0.72268 0.72426 0.72629 0.72785 0.72920 0.73086 0.73151 0.73285 0.73377 0.73470 0.73557 0.73824 0.73867 0.74106 0.74265 0.74372 0.74483 0.74627 0.74808 0.74848 0.75040 0.75341 0.75400 0.75546 0.75907 0.75948 0.76002 0.76218 0.76327 0.76429 0.76641 0.76855 0.76955 0.77178 0.77276 0.77435 0.77644 0.77731 0.77964 0.78302 0.78410 0.78434 0.78597 0.78767 0.79005 0.79209 0.79399 0.79626 0.79749 0.79895 0.79998 0.80282 0.80449 0.80479 0.80590 0.80823 0.81030 0.81072 0.81213 0.81490 0.81618 0.81978 0.82029 0.82071 0.82308 0.82601 0.82733 0.82861 0.82880 0.83302 0.83425 0.83581 0.83728 0.83886 0.84071 0.84141 0.84577 0.84637 0.84886 0.84945 0.85431 0.85513 0.85575 0.85713 0.86034 0.86123 0.86258 0.86294 0.86530 0.86749 0.86924 0.87065 0.87257 0.87318 0.87619 0.88065 0.88242 0.88267 0.88377 0.88506 0.88611 0.88897 0.88991 0.89325 0.89476 0.89561 0.89793 0.89979 0.90240 0.90410 0.90579 0.90639 0.91044 0.91220 0.91417 0.91647 0.91904 0.92061 0.92448 0.92664 0.92766 0.93056 0.93189 0.93340 0.93664 0.93858 0.93928 0.94088 0.94339 0.94518 0.94693 0.94765 0.94851 0.95176 0.95390 0.95563 0.95932 0.96336 0.96423 0.96680 0.97012 0.97248 0.97281 0.97465 0.97690 0.97940 0.98149 0.98352 0.98576 0.98791 0.98883 0.99043 0.99232 0.99539 0.99618 0.99812 1.00300 1.00393 1.00625 1.00926 1.01224 1.01388 1.01580 1.01621 1.01838 1.02384 1.02620 1.02750 1.02951 1.03162 1.03320 1.03375 1.03625 1.03899 1.04151 1.04353 1.04553 1.04712 1.04854 1.05051 1.05124 1.05270 1.05834 1.05942 1.06454 1.06831 1.06921 1.07068 1.07192 1.07481 1.07601 1.07879 1.08259 1.08527 1.08772 1.08971 1.09403 1.09529 1.09995 1.10082 1.10274 1.10703 1.11054 1.11102 1.11388 1.11663 1.11937 1.11974 1.12067 1.12369 1.12828 1.13060 1.13309 1.13483 1.13821 1.13856 1.14002 1.14349 1.14586 1.14835 1.15435 1.15523 1.15875 1.15980 1.16171 1.16339 1.16619 1.16827 1.16862 1.17545 1.17680 1.17829 1.18022 1.18461 1.18685 1.18980 1.19267 1.19404 1.19558 1.19722 1.19919 1.20169 1.20521 1.20806 1.20969 1.21411 1.21690 1.21891 1.21950 1.22316 1.22612 1.22974 1.23067 1.23389 1.23578 1.23869 1.24010 1.24308 1.24437 1.24600 1.24894 1.25116 1.25260 1.25388 1.25898 1.26047 1.26417 1.26681 1.27002 1.27120 1.27282 1.27515 1.27574 1.27797 1.27996 1.28441 1.28627 1.28866 1.29104 1.29342 1.29516 1.29737 1.29814 1.30056 1.30256 1.30419 1.30931 1.30969 1.31323 1.31552 1.31715 1.31948 1.32191 1.32635 1.32682 1.32819 1.33309 1.33500 1.33629 1.33838 1.34050 1.34299 1.34456 1.34839 1.35124 1.35328 1.35542 1.36096 1.36143 1.36244 1.36561 1.36781 1.36982 1.37154 1.37265 1.37427 1.37617 1.37927 1.38053 1.38161 1.38231 1.38551 1.38720 1.39339 1.39560 1.39601 1.39895 1.40073 1.40202 1.40431 1.40726 1.40824 1.41157 1.41464 1.41743 1.42061 1.42362 1.42459 1.42802 1.43050 1.43120 1.43273 1.43360 1.43650 1.43932 1.43962 1.44263 1.44525 1.44646 1.44729 1.45156 1.45330 1.45583 1.45743 1.46165 1.46226 1.46393 1.46646 1.46841 1.46919 1.47134 1.47426 1.47663 1.47921 1.48022 1.48262 1.48552 1.48627 1.48955 1.49300 1.49365 1.49696 1.49948 1.50151 1.50542 1.50835 1.51039 1.51163 1.51339 1.51847 1.52025 1.52215 1.52314 1.52760 1.52957 1.52990 1.53258 1.53600 1.53734 1.53923 1.54020 1.54373 1.54889 1.55079 1.55336 1.55605 1.55718 1.56148 1.56334 1.56519 1.56803 1.57036 1.57239 1.57609 1.57744 1.58366 1.58402 1.58648 1.59052 1.59435 1.59459 1.59489 1.59815 1.59953 1.60237 1.61040 1.61236 1.61528 1.61821 1.61888 1.62082 1.62268 1.62612 1.62865 1.63059 1.63502 1.63683 1.63874 1.64007 1.64461 1.64530 1.64820 1.65112 1.65510 1.65726 1.65777 1.66192 1.66275 1.66599 1.66862 1.67450 1.67512 1.67751 1.68319 1.68518 1.68530 1.68960 1.69140 1.69364 1.69632 1.69819 1.70064 1.70332 1.70648 1.70989 1.71406 1.72005 1.72233 1.72307 1.72509 1.72688 1.73118 1.73276 1.73573 1.73732 1.74076 1.74406 1.74511 1.74972 1.75066 1.75549 1.75551 1.75801 1.76049 1.76353 1.76646 1.76965 1.77221 1.77494 1.77553 1.78165 1.78368 1.78453 1.78803 1.79007 1.79235 1.79571 1.79726 1.79937 1.80351 1.80678 1.81077 1.81263 1.81464 1.81654 1.81889 1.82548 1.82925 1.83031 1.83198 1.83545 1.83929 1.84134 1.84525 1.84702 1.84971 1.85321 1.85453 1.85924 1.86086 1.86187 1.86453 1.86616 1.87256 1.87396 1.87608 1.87841 1.88249 1.88444 1.88636 1.89151 1.89499 1.89940 1.90093 1.90420 1.90811 1.90963 1.91329 1.91578 1.92175 1.92372 1.92729 1.93182 1.93421 1.94265 1.94483 1.95119 1.95277 1.95522 1.95674 1.95959 1.96114 1.96522 1.96855 1.97812 1.98255 1.98562 1.98868 1.99320 1.99435 1.99791 2.00680 2.00795 2.01193 2.01457 2.02215 2.02502 2.03177 2.03742 2.04153 2.04667 2.04799 2.05292 2.05708 2.06073 2.06126 2.07037 2.07683 2.07997 2.08581 2.08959 2.09329 2.10523 2.10667 2.11013 2.11424 2.11843 2.11947 2.12156 2.12705 2.12737 2.13169 2.13538 2.13910 2.14257 2.14798 2.15061 2.15429 2.16338 2.16449 2.16606 2.17576 2.17890 2.18167 2.18296 2.18945 2.19402 2.20076 2.20429 2.20744 2.21015 2.21257 2.21605 2.22056 2.22500 2.22740 2.23128 2.23339 2.23590 2.24257 2.24721 2.25177 2.25474 2.26251 2.26641 2.27460 2.27842 2.28356 2.28922 2.29223 2.29550 2.29840 2.30188 2.30567 2.30759 2.31166 2.31630 2.31736 2.32238 2.32427 2.32902 2.33237 2.33600 2.34195 2.34330 2.34882 2.35003 2.35696 2.36046 2.36326 2.36482 2.37091 2.37231 2.37670 2.38058 2.38359 2.38918 2.39513 2.39882 2.40380 2.40689 2.40866 2.41108 2.41416 2.42285 2.42685 2.43043 2.43184 2.44341 2.44828 2.45526 2.46136 2.46261 2.46868 2.47277 2.47395 2.48160 2.48248 2.48742 2.49132 2.49764 2.50059 2.50393 2.51189 2.51539 2.51994 2.52421 2.52839 2.53355 2.53662 2.54755 2.55061 2.56097 2.56972 2.57726 2.58473 2.58685 2.59389 2.59952 2.60187 2.60689 2.61280 2.61335 2.62046 2.62595 2.62932 2.63418 2.63844 2.64684 2.64944 2.65794 2.66180 2.66772 2.67194 2.67676 2.68280 2.68374 2.68687 2.69390 2.69596 2.70130 2.70777 2.71028 2.71447 2.72480 2.73606 2.73960 2.74446 2.74701 2.75056 2.76121 2.76645 2.77364 2.77779 2.77977 2.78227 2.78845 2.79185 2.79260 2.80681 2.80805 2.81270 2.81986 2.82519 2.82543 2.83247 2.83527 2.83952 2.84623 2.84770 2.84921 2.85086 2.85654 2.85696 2.86410 2.86558 2.86915 2.87183 2.87736 2.88043 2.88367 2.88904 2.89088 2.89305 2.89480 2.90141 2.90410 2.90623 2.90845 2.91052 2.91284 2.91969 2.92103 2.92387 2.92517 2.92918 2.93503 2.93968 2.94126 2.94265 2.94549 2.94882 2.95292 2.95510 2.95852 2.96462 2.96624 2.96976 2.97287 2.97743 2.98105 2.98316 2.98496 2.98798 2.99044 2.99689 3.00067 3.00193 3.00446 3.00668 3.01340 3.01650 3.02021 3.02282 3.02550 3.02982 3.03501 3.03822 3.03988 3.04466 3.04672 3.05184 3.05669 3.05815 3.05946 3.06352 3.06754 3.06934 3.07328 3.07738 3.07763 3.08605 3.08776 3.09037 3.09405 3.09565 3.10063 3.10460 3.10703 3.11124 3.11517 3.11880 3.12196 3.12396 3.12663 3.12965 3.13171 3.13403 3.13816 3.13947 3.14211 3.14522 3.14775 3.15034 3.15416 3.15635 3.15849 3.16467 3.16621 3.16957 3.17274 3.17336 3.17614 3.17786 3.17831 3.18017 3.18397 3.18616 3.19146 3.19255 3.19542 3.19886 3.19913 3.20205 3.20426 3.20706 3.20968 3.21277 3.21682 3.21782 3.22212 3.22563 3.22609 3.22759 3.23204 3.23322 3.23605 3.23946 3.24072 3.24116 3.24521 3.24713 3.24954 3.25288 3.25368 3.25736 3.26241 3.26304 3.26716 3.26870 3.27280 3.27395 3.27661 3.27910 3.27965 3.28581 3.28976 3.29481 3.29620 3.30056 3.30225 3.30807 3.30873 3.30969 3.31309 3.31496 3.31819 3.32205 3.32960 3.33018 3.33373 3.33474 3.33666 3.33823 3.33980 3.34246 3.34704 3.35073 3.35220 3.35604 3.35756 3.36195 3.36356 3.36693 3.36859 3.37302 3.37491 3.37631 3.38134 3.38205 3.38537 3.38840 3.39028 3.39215 3.39483 3.39622 3.40121 3.40326 3.40597 3.40972 3.41095 3.41368 3.41713 3.42050 3.42311 3.42518 3.42645 3.43111 3.43566 3.43690 3.44115 3.44346 3.44528 3.44672 3.44806 3.45063 3.45381 3.45650 3.45810 3.46038 3.46293 3.46906 3.47103 3.47233 3.47301 3.47632 3.47850 3.48036 3.48267 3.48639 3.48767 3.48855 3.49365 3.49723 3.49826 3.50029 3.50223 3.50411 3.50767 3.50920 3.51230 3.51401 3.51902 3.52416 3.52552 3.53027 3.53561 3.53662 3.53798 3.53943 3.54284 3.54393 3.54751 3.54803 3.55092 3.55434 3.55591 3.55653 3.55911 3.56053 3.56372 3.56693 3.56834 3.57005 3.57141 3.57486 3.57807 3.58005 3.58215 3.58352 3.58728 3.59107 3.59295 3.59474 3.59662 3.59827 3.60211 3.60568 3.60733 3.61054 3.61239 3.61534 3.61706 3.61859 3.61871 3.62257 3.62470 3.62639 3.63378 3.63596 3.63761 3.64095 3.64240 3.64307 3.64833 3.65050 3.65315 3.65446 3.65699 3.65979 3.66129 3.66410 3.66622 3.66852 3.67320 3.67695 3.67818 3.68021 3.68411 3.68490 3.68859 3.68964 3.69457 3.69685 3.69979 3.70441 3.70457 3.70734 3.70990 3.71317 3.71543 3.71685 3.72235 3.72389 3.72675 3.72964 3.73276 3.73519 3.73846 3.74239 3.74592 3.74901 3.75262 3.75437 3.75932 3.76053 3.76217 3.76736 3.77487 3.77933 3.78240 3.78455 3.78743 3.78761 3.79320 3.79604 3.80183 3.80435 3.80692 3.81235 3.81433 3.81648 3.81867 3.82184 3.82258 3.82959 3.83158 3.83475 3.83657 3.84102 3.84424 3.84605 3.85301 3.85583 3.85739 3.86544 3.86810 3.86977 3.87578 3.87893 3.88244 3.88502 3.88722 3.89048 3.89512 3.89937 3.90369 3.90476 3.90680 3.90935 3.91129 3.91843 3.92037 3.92360 3.92494 3.93279 3.93391 3.94089 3.94194 3.94959 3.94993 3.95351 3.95597 3.96245 3.96549 3.97087 3.97247 3.97718 3.98188 3.98729 3.98879 3.99719 3.99949 4.00274 4.00759 4.00899 4.01283 4.01656 4.01717 4.02181 4.02808 4.03140 4.03458 4.03618 4.04166 4.04821 4.04988 4.05634 4.05768 4.06257 4.06301 4.06723 4.07033 4.07298 4.07554 4.07882 4.08207 4.08752 4.09183 4.09571 4.09678 4.09961 4.10290 4.10515 4.10677 4.11107 4.11250 4.11562 4.11935 4.12125 4.12377 4.12512 4.12756 4.13145 4.13333 4.13491 4.13757 4.14205 4.14477 4.14813 4.15012 4.15194 4.15643 4.15686 4.16214 4.16350 4.16649 4.17265 4.17629 4.17749 4.18195 4.18331 4.18684 4.18922 4.19096 4.19252 4.19743 4.19960 4.20390 4.20614 4.20857 4.21416 4.21468 4.21732 4.21918 4.22243 4.23012 4.23186 4.23491 4.23947 4.24136 4.24341 4.24511 4.24931 4.25018 4.25406 4.25546 4.25782 4.25990 4.26289 4.26564 4.26829 4.27091 4.27353 4.27577 4.27818 4.28064 4.28507 4.28653 4.28762 4.29188 4.29670 4.29780 4.29847 4.30036 4.30262 4.30420 4.30687 4.30911 4.31333 4.31615 4.31646 4.31766 4.32266 4.32660 4.32817 4.32986 4.33144 4.33500 4.33632 4.33983 4.34120 4.34415 4.34580 4.34850 4.35104 4.35247 4.35587 4.35711 4.36139 4.36317 4.36394 4.36981 4.37350 4.37499 4.37726 4.38089 4.38322 4.38558 4.38863 4.39250 4.39698 4.39943 4.40308 4.40496 4.40937 4.41194 4.41397 4.41713 4.42059 4.42691 4.43023 4.43163 4.43438 4.43839 4.44102 4.44394 4.45330 4.45467 4.45694 4.45976 4.46043 4.46493 4.46727 4.47189 4.47401 4.47922 4.48124 4.48386 4.48881 4.49114 4.49414 4.49805 4.50287 4.50530 4.50937 4.50982 4.51544 4.51981 4.52118 4.52630 4.52853 4.53181 4.53423 4.53720 4.53968 4.54196 4.54886 4.56050 4.56693 4.56801 4.57133 4.57500 4.58016 4.58164 4.58284 4.58957 4.59471 4.59932 4.60164 4.60883 4.61845 4.61950 4.62336 4.63271 4.63757 4.63993 4.64687 4.65057 4.65199 4.65764 4.65944 4.66288 4.66870 4.67264 4.67910 4.68023 4.68374 4.68678 4.69009 4.69229 4.69490 4.69946 4.70530 4.71026 4.71129 4.71713 4.72188 4.72585 4.73070 4.73373 4.73541 4.73789 4.74060 4.74629 4.75020 4.75511 4.75679 4.76205 4.76482 4.76639 4.76928 4.77155 4.77765 4.77898 4.78293 4.79184 4.79305 4.79972 4.80210 4.80377 4.80544 4.81126 4.81664 4.82220 4.82664 4.82770 4.83481 4.83726 4.84129 4.84536 4.84723 4.85092 4.85565 4.85999 4.86796 4.87145 4.87707 4.88085 4.89179 4.89563 4.90160 4.90431 4.90783 4.91036 4.91498 4.91835 4.92862 4.93189 4.93538 4.93890 4.94307 4.94594 4.95354 4.95817 4.95972 4.96731 4.96789 4.97336 4.97643 4.98161 4.98679 4.98953 4.99589 5.00106 5.00603 5.00881 5.01683 5.02752 5.02945 5.03004 5.03674 5.04191 5.04300 5.04700 5.05395 5.05693 5.06102 5.06403 5.07301 5.08004 5.08090 5.08764 5.09200 5.10459 5.10727 5.11415 5.12314 5.12753 5.13501 5.14029 5.14469 5.15167 5.15706 5.15728 5.16191 5.16681 5.17305 5.17647 5.17957 5.18725 5.19861 5.20592 5.20810 5.21406 5.22347 5.22726 5.22977 5.23492 5.24668 5.25166 5.25354 5.26264 5.26726 5.26946 5.27410 5.28229 5.28784 5.30260 5.30669 5.31516 5.32229 5.32659 5.32889 5.33544 5.34073 5.34197 5.35146 5.35800 5.36250 5.36974 5.37049 5.38239 5.38787 5.38988 5.39448 5.39566 5.40012 5.40309 5.40680 5.40955 5.41190 5.41410 5.41925 5.42075 5.42634 5.42738 5.43206 5.43584 5.43959 5.44388 5.44587 5.44985 5.45100 5.45492 5.46004 5.46474 5.46739 5.46974 5.47868 5.48181 5.48368 5.48701 5.49339 5.49645 5.50160 5.50394 5.50824 5.52118 5.52780 5.53312 5.53941 5.54354 5.54649 5.54870 5.55596 5.55678 5.56528 5.56681 5.57249 5.57539 5.58027 5.58310 5.58928 5.59051 5.59723 5.60638 5.60736 5.61262 5.61860 5.61993 5.62204 5.62983 5.63470 5.64369 5.64690 5.64959 5.65956 5.66152 5.66499 5.67000 5.67636 5.68860 5.69276 5.70076 5.70296 5.71351 5.72135 5.72365 5.72881 5.73292 5.73698 5.73860 5.74050 5.74955 5.75295 5.75391 5.76230 5.76583 5.76926 5.77671 5.77720 5.78069 5.78341 5.78677 5.78983 5.80252 5.80477 5.80870 5.81076 5.81695 5.82568 5.83084 5.83225 5.84289 5.85065 5.85231 5.86206 5.86572 5.87077 5.88158 5.88542 5.89575 5.89922 5.91245 5.91959 5.94116 5.94763 5.96126 5.96533 5.97438 5.98260 5.99321 5.99760 6.00800 6.02198 6.02471 6.03346 6.04088 6.05316 6.06208 6.06828 6.08586 6.09238 6.15855 6.16628 6.21805 6.25272 6.36292 6.39661 6.52952 6.54199 6.55396 6.56323 6.61384 6.82465 6.84681 6.84961 6.86317 6.86679 6.87279 6.87765 6.88194 6.88679 6.89258 6.89577 6.89845 6.90642 6.91483 6.92346 6.92655 6.92939 6.94283 6.94582 6.96226 6.96947 7.05438 7.07464 7.07936 7.08122 7.11173 7.13579 7.17022 7.17461 7.18231 7.19284 7.21875 7.23284 7.25327 7.33156 7.43547 7.44548 7.45343 7.45989 7.46746 7.51021 7.55125 7.57258 7.59967 7.65820 7.69396 7.71886 7.72139 8.53173 8.55336 8.56139 8.58300 8.60769 8.63993 8.66701 8.68716 8.69302 8.70617 8.73486 8.75939 8.77090 8.82853 8.83711 8.85688 8.89512 8.90834 8.96011 8.98524 9.18547 9.20451 9.22940 9.24684 9.27152 9.31036 9.43567 9.43895 9.49247 9.57849 12.99032 12.99094 12.99135 12.99239 12.99377 12.99442 12.99733 13.00314 13.04525 13.19079 13.21236 13.21932 13.23085 13.27666 13.32837 13.55225 22.98391 23.09771 23.25072 23.26882 23.31170 23.32409 23.33954 23.34681 23.35925 23.38051 23.38905 23.41159 23.45947 23.51996 23.54475 23.57117 23.57659 23.59269 23.66214 23.66569 23.79327 23.87389 23.88318 23.89680 23.90099 23.90610 23.91514 23.96773 23.99695 24.01361 24.02194 24.03601 24.11873 24.12835 33.47355 33.66236 44.87847 57.81179 57.86885 57.94908 57.95618 58.03807 58.05477</array>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="89">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="89">Cu N N C H C C H C H C C C H H H C H C H C H C C H C H H H C H H H C C C H C H C H C C H C H H H C H H H C H C H H H C H H H C H H H O C C H H H H C H H C C C C F F F F F F H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="89">-1.791121 0.596694 0.562460 1.512188 0.031234 2.165953 -0.169322 0.035093 -0.233210 0.003596 -0.558570 0.132290 -1.365892 0.222352 0.227687 0.190977 -0.269803 -0.002268 -0.214796 0.095343 -0.308631 0.002797 0.047904 1.744523 0.115638 -1.045539 0.284093 0.140155 -0.102413 -1.395319 0.217989 0.214873 0.224352 -0.459875 -0.000883 -0.207532 -0.027644 -0.120443 0.057710 -0.280340 -0.053847 0.150960 1.531213 0.205776 -1.355044 0.215576 0.213782 0.219975 -0.934618 0.211307 0.174445 -0.269559 1.618844 0.115943 -1.482846 0.181526 0.242999 0.254086 -1.098636 -0.027332 0.191044 0.266625 -0.900212 -0.134585 0.147487 0.251310 -0.350390 -0.941811 0.295519 0.181125 0.132782 -0.294350 0.225599 -0.171777 0.239335 0.153009 -0.889328 1.284214 0.671102 0.737141 -0.385632 -0.365688 -0.199058 -0.353121 -0.343840 -0.290661 0.173581 0.197813 0.085915</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">11.2070 3.1215 -1.4196</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">11.7199</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-206.5714 -261.5321 -270.3027</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">0.1615 40.4615 13.0395</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">39.5640 -15.3967 -24.1673 0.1615 40.4615 13.0395</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-2503.4295 -11.1656 -2559.2039 -907.1150 10.5828 -641.3822 -785.4531 48.0028 -852.8589 -7.2373</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-30023.1561 -9137.0742 -24738.0373 872.3869 -8402.8736 242.7833 -124.8846 -8921.2641 107.6755 -6622.2330 -8628.2810 -5661.1261 -2.2604 -3107.4063 74.9705</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="ginc">
                     <list dictRef="g:archive">
                        <list dictRef="g:archive1">
                           <scalar dataType="xsd:string" dictRef="cc:hostname">GINC-G4NODER14</scalar>
                           <formula concise="C 34.0 H 45.0 Cu 1.0 F 6.0 N 2.0 O 1.0" formalCharge="0">
                              <atomArray count="34.0 45.0 1.0 6.0 2.0 1.0" elementType="C H Cu F N O"/>
                           </formula>
                           <scalar dataType="xsd:string" dictRef="cc:jobname">ROOT</scalar>
                           <scalar dataType="xsd:string">01-Apr-2022</scalar>
                           <scalar dataType="xsd:string" dictRef="g:zmat">0</scalar>
                        </list>
                        <scalar dataType="xsd:string" dictRef="cc:title">Title</scalar>
                        <list dictRef="cc:molecule">
                           <list type="chargemult">
                              <scalar dataType="xsd:string" dictRef="x:formalCharge">0</scalar>
                              <scalar dataType="xsd:string" dictRef="x:spinMultiplicity">1</scalar>
                           </list>
                        </list>
                        <list dictRef="g:archive.namevalue">
                           <scalar dataType="xsd:string">Version=ES64L-G16RevB.01</scalar>
                           <scalar dataType="xsd:string">HF=-3748.1674061</scalar>
                           <scalar dataType="xsd:string">RMSD=8.212e-09</scalar>
                           <scalar dataType="xsd:string">Dipole=4.4091735,1.2280979,-0.5585276</scalar>
                           <scalar dataType="xsd:string">Quadrupole=29.4148419,-11.4470482,-17.9677937,0.1200805,30.0821348,9.694516</scalar>
                           <scalar dataType="xsd:string">PG=C01 [X(C34H45Cu1F6N2O1)]</scalar>
                        </list>
                     </list>
                  </list>
                  <list id="molRoot0">
                     <module id="moleculeRoot">
                        <list type="molecule">
                           <atom elementType="Cu" id="a1"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.26444</scalar>
                           <scalar dataType="xsd:string">-0.475432</scalar>
                           <scalar dataType="xsd:string">3.492218</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="N" id="a2"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.270621</scalar>
                           <scalar dataType="xsd:string">1.64081</scalar>
                           <scalar dataType="xsd:string">3.62297</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="N" id="a3"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.195631</scalar>
                           <scalar dataType="xsd:string">-0.290464</scalar>
                           <scalar dataType="xsd:string">3.655866</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a4"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.184528</scalar>
                           <scalar dataType="xsd:string">-1.609208</scalar>
                           <scalar dataType="xsd:string">6.225224</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a5"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.30653</scalar>
                           <scalar dataType="xsd:string">-0.544169</scalar>
                           <scalar dataType="xsd:string">6.025112</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a6"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.983536</scalar>
                           <scalar dataType="xsd:string">0.313383</scalar>
                           <scalar dataType="xsd:string">3.566308</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a7"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.634436</scalar>
                           <scalar dataType="xsd:string">1.858745</scalar>
                           <scalar dataType="xsd:string">3.753719</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a8"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.050259</scalar>
                           <scalar dataType="xsd:string">2.848321</scalar>
                           <scalar dataType="xsd:string">3.819532</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a9"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.219806</scalar>
                           <scalar dataType="xsd:string">0.639278</scalar>
                           <scalar dataType="xsd:string">3.768955</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a10"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">8.250729</scalar>
                           <scalar dataType="xsd:string">0.345176</scalar>
                           <scalar dataType="xsd:string">3.853497</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a11"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.370876</scalar>
                           <scalar dataType="xsd:string">-1.719323</scalar>
                           <scalar dataType="xsd:string">3.678353</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a12"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.402298</scalar>
                           <scalar dataType="xsd:string">-2.364645</scalar>
                           <scalar dataType="xsd:string">4.92305</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a13"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.203052</scalar>
                           <scalar dataType="xsd:string">-1.983584</scalar>
                           <scalar dataType="xsd:string">7.30851</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a14"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.063569</scalar>
                           <scalar dataType="xsd:string">-1.349926</scalar>
                           <scalar dataType="xsd:string">8.187608</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a15"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">8.228536</scalar>
                           <scalar dataType="xsd:string">-1.85214</scalar>
                           <scalar dataType="xsd:string">6.955399</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a16"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.089577</scalar>
                           <scalar dataType="xsd:string">-3.019824</scalar>
                           <scalar dataType="xsd:string">7.63399</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a17"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.561484</scalar>
                           <scalar dataType="xsd:string">-3.750399</scalar>
                           <scalar dataType="xsd:string">4.92187</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a18"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.58123</scalar>
                           <scalar dataType="xsd:string">-4.287513</scalar>
                           <scalar dataType="xsd:string">5.861255</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a19"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.674204</scalar>
                           <scalar dataType="xsd:string">-4.454728</scalar>
                           <scalar dataType="xsd:string">3.730657</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a20"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.792048</scalar>
                           <scalar dataType="xsd:string">-5.531587</scalar>
                           <scalar dataType="xsd:string">3.751247</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a21"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.619003</scalar>
                           <scalar dataType="xsd:string">-3.78994</scalar>
                           <scalar dataType="xsd:string">2.514025</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a22"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.683527</scalar>
                           <scalar dataType="xsd:string">-4.355997</scalar>
                           <scalar dataType="xsd:string">1.593529</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a23"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.46192</scalar>
                           <scalar dataType="xsd:string">-2.40422</scalar>
                           <scalar dataType="xsd:string">2.459848</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a24"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.323954</scalar>
                           <scalar dataType="xsd:string">-1.697472</scalar>
                           <scalar dataType="xsd:string">1.120911</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a25"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">6.328678</scalar>
                           <scalar dataType="xsd:string">-0.622311</scalar>
                           <scalar dataType="xsd:string">1.301854</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a26"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.97279</scalar>
                           <scalar dataType="xsd:string">-2.045764</scalar>
                           <scalar dataType="xsd:string">0.476797</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a27"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.908425</scalar>
                           <scalar dataType="xsd:string">-3.11318</scalar>
                           <scalar dataType="xsd:string">0.252403</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a28"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.839618</scalar>
                           <scalar dataType="xsd:string">-1.496412</scalar>
                           <scalar dataType="xsd:string">-0.457185</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a29"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.14534</scalar>
                           <scalar dataType="xsd:string">-1.795809</scalar>
                           <scalar dataType="xsd:string">1.143932</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a30"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.489775</scalar>
                           <scalar dataType="xsd:string">-2.004463</scalar>
                           <scalar dataType="xsd:string">0.172579</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a31"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.518309</scalar>
                           <scalar dataType="xsd:string">-3.059631</scalar>
                           <scalar dataType="xsd:string">-0.108034</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a32"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">8.450149</scalar>
                           <scalar dataType="xsd:string">-1.752952</scalar>
                           <scalar dataType="xsd:string">0.628607</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a33"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">7.389215</scalar>
                           <scalar dataType="xsd:string">-1.423417</scalar>
                           <scalar dataType="xsd:string">-0.747456</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a34"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.259343</scalar>
                           <scalar dataType="xsd:string">2.667161</scalar>
                           <scalar dataType="xsd:string">3.583458</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a35"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.00805</scalar>
                           <scalar dataType="xsd:string">3.30772</scalar>
                           <scalar dataType="xsd:string">2.359478</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a36"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.991909</scalar>
                           <scalar dataType="xsd:string">4.260908</scalar>
                           <scalar dataType="xsd:string">2.333628</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a37"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.758348</scalar>
                           <scalar dataType="xsd:string">4.772891</scalar>
                           <scalar dataType="xsd:string">1.409922</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a38"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.25941</scalar>
                           <scalar dataType="xsd:string">4.554792</scalar>
                           <scalar dataType="xsd:string">3.47718</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a39"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.465422</scalar>
                           <scalar dataType="xsd:string">5.290608</scalar>
                           <scalar dataType="xsd:string">3.432652</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a40"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.531461</scalar>
                           <scalar dataType="xsd:string">3.90583</scalar>
                           <scalar dataType="xsd:string">4.670589</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a41"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.945893</scalar>
                           <scalar dataType="xsd:string">4.138151</scalar>
                           <scalar dataType="xsd:string">5.550838</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a42"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.54108</scalar>
                           <scalar dataType="xsd:string">2.944831</scalar>
                           <scalar dataType="xsd:string">4.753192</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a43"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.810128</scalar>
                           <scalar dataType="xsd:string">2.238014</scalar>
                           <scalar dataType="xsd:string">6.072992</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a44"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.627117</scalar>
                           <scalar dataType="xsd:string">1.532276</scalar>
                           <scalar dataType="xsd:string">5.922189</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a45"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.259603</scalar>
                           <scalar dataType="xsd:string">3.230116</scalar>
                           <scalar dataType="xsd:string">7.15541</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a46"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.143998</scalar>
                           <scalar dataType="xsd:string">3.78951</scalar>
                           <scalar dataType="xsd:string">6.840759</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a47"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.505267</scalar>
                           <scalar dataType="xsd:string">2.697953</scalar>
                           <scalar dataType="xsd:string">8.077911</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a48"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.472844</scalar>
                           <scalar dataType="xsd:string">3.951356</scalar>
                           <scalar dataType="xsd:string">7.388327</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a49"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.587408</scalar>
                           <scalar dataType="xsd:string">1.430188</scalar>
                           <scalar dataType="xsd:string">6.531581</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a50"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.732537</scalar>
                           <scalar dataType="xsd:string">2.079994</scalar>
                           <scalar dataType="xsd:string">6.730485</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a51"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.815586</scalar>
                           <scalar dataType="xsd:string">0.887567</scalar>
                           <scalar dataType="xsd:string">7.451872</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a52"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.280949</scalar>
                           <scalar dataType="xsd:string">0.703124</scalar>
                           <scalar dataType="xsd:string">5.77811</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a53"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.756953</scalar>
                           <scalar dataType="xsd:string">2.914864</scalar>
                           <scalar dataType="xsd:string">1.093796</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a54"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.747804</scalar>
                           <scalar dataType="xsd:string">2.561549</scalar>
                           <scalar dataType="xsd:string">1.384922</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a55"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.965651</scalar>
                           <scalar dataType="xsd:string">4.078239</scalar>
                           <scalar dataType="xsd:string">0.119123</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a56"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.0263</scalar>
                           <scalar dataType="xsd:string">4.40815</scalar>
                           <scalar dataType="xsd:string">-0.329696</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a57"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.61914</scalar>
                           <scalar dataType="xsd:string">3.763608</scalar>
                           <scalar dataType="xsd:string">-0.697819</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a58"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">5.427357</scalar>
                           <scalar dataType="xsd:string">4.938145</scalar>
                           <scalar dataType="xsd:string">0.609625</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a59"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.037988</scalar>
                           <scalar dataType="xsd:string">1.745887</scalar>
                           <scalar dataType="xsd:string">0.400458</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a60"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.930194</scalar>
                           <scalar dataType="xsd:string">0.89405</scalar>
                           <scalar dataType="xsd:string">1.071548</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a61"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.596496</scalar>
                           <scalar dataType="xsd:string">1.421398</scalar>
                           <scalar dataType="xsd:string">-0.48091</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a62"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.037861</scalar>
                           <scalar dataType="xsd:string">2.044512</scalar>
                           <scalar dataType="xsd:string">0.080237</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a63"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.744229</scalar>
                           <scalar dataType="xsd:string">-1.819376</scalar>
                           <scalar dataType="xsd:string">6.719852</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a64"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.015276</scalar>
                           <scalar dataType="xsd:string">-1.521635</scalar>
                           <scalar dataType="xsd:string">5.963596</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a65"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.558449</scalar>
                           <scalar dataType="xsd:string">-1.230822</scalar>
                           <scalar dataType="xsd:string">7.621511</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a66"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">4.563341</scalar>
                           <scalar dataType="xsd:string">-2.870385</scalar>
                           <scalar dataType="xsd:string">6.957863</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="O" id="a67"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.588963</scalar>
                           <scalar dataType="xsd:string">-1.257424</scalar>
                           <scalar dataType="xsd:string">3.635935</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a68"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.241659</scalar>
                           <scalar dataType="xsd:string">-1.429298</scalar>
                           <scalar dataType="xsd:string">1.606633</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a69"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.115624</scalar>
                           <scalar dataType="xsd:string">-0.670672</scalar>
                           <scalar dataType="xsd:string">0.608977</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a70"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.804105</scalar>
                           <scalar dataType="xsd:string">-1.379313</scalar>
                           <scalar dataType="xsd:string">1.2941</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a71"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.534234</scalar>
                           <scalar dataType="xsd:string">-2.480564</scalar>
                           <scalar dataType="xsd:string">1.604852</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a72"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.118629</scalar>
                           <scalar dataType="xsd:string">-0.547379</scalar>
                           <scalar dataType="xsd:string">1.023389</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a73"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.722049</scalar>
                           <scalar dataType="xsd:string">0.336255</scalar>
                           <scalar dataType="xsd:string">0.449345</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a74"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.215853</scalar>
                           <scalar dataType="xsd:string">-1.39244</scalar>
                           <scalar dataType="xsd:string">-0.735945</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a75"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.208955</scalar>
                           <scalar dataType="xsd:string">-1.606481</scalar>
                           <scalar dataType="xsd:string">-1.11116</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a76"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.699791</scalar>
                           <scalar dataType="xsd:string">-2.363618</scalar>
                           <scalar dataType="xsd:string">-0.585574</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a77"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.987683</scalar>
                           <scalar dataType="xsd:string">-0.590958</scalar>
                           <scalar dataType="xsd:string">-1.782446</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a78"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.380015</scalar>
                           <scalar dataType="xsd:string">-0.987701</scalar>
                           <scalar dataType="xsd:string">3.090466</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a79"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.673728</scalar>
                           <scalar dataType="xsd:string">-1.806088</scalar>
                           <scalar dataType="xsd:string">3.912765</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="C" id="a80"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">0.020043</scalar>
                           <scalar dataType="xsd:string">0.535266</scalar>
                           <scalar dataType="xsd:string">3.224811</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a81"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.103889</scalar>
                           <scalar dataType="xsd:string">0.878907</scalar>
                           <scalar dataType="xsd:string">2.548574</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a82"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.158281</scalar>
                           <scalar dataType="xsd:string">0.926443</scalar>
                           <scalar dataType="xsd:string">4.504326</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a83"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.014931</scalar>
                           <scalar dataType="xsd:string">1.306441</scalar>
                           <scalar dataType="xsd:string">2.729709</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a84"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-1.956849</scalar>
                           <scalar dataType="xsd:string">-1.519248</scalar>
                           <scalar dataType="xsd:string">3.567482</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a85"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.506325</scalar>
                           <scalar dataType="xsd:string">-3.130694</scalar>
                           <scalar dataType="xsd:string">3.704151</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="F" id="a86"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">-0.57339</scalar>
                           <scalar dataType="xsd:string">-1.609037</scalar>
                           <scalar dataType="xsd:string">5.238909</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a87"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">2.064679</scalar>
                           <scalar dataType="xsd:string">-1.135912</scalar>
                           <scalar dataType="xsd:string">-2.726814</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a88"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">1.495779</scalar>
                           <scalar dataType="xsd:string">0.36376</scalar>
                           <scalar dataType="xsd:string">-1.989113</scalar>
                        </list>
                        <list type="molecule">
                           <atom elementType="H" id="a89"/>
                           <scalar dataType="xsd:string">0</scalar>
                           <scalar dataType="xsd:string">3.001428</scalar>
                           <scalar dataType="xsd:string">-0.36993</scalar>
                           <scalar dataType="xsd:string">-1.441364</scalar>
                        </list>
                     </module>
                  </list>
               </module>
            </module>
         </module>
      </module>
   </module>
</module>
