<?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:hostname">
                  <scalar dataType="xsd:string">GINC-IRENE5081</scalar>
               </parameter>
               <parameter dictRef="cc:jobname">
                  <scalar dataType="xsd:string">PENASFRA</scalar>
               </parameter>
               <parameter dictRef="cc:title">
                  <scalar dataType="xsd:string">tbu_indenoPy</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevC.02</scalar>
               </parameter>
               <parameter dictRef="cc:run.date">
                  <scalar dataType="xsd:string">9-Mar-2023</scalar>
               </parameter>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">Gaussian 16</scalar>
               </parameter>
               <parameter dictRef="cc:program.date">
                  <scalar dataType="xsd:string">7-Dec-2021</scalar>
               </parameter>
               <parameter dictRef="cc:version">
                  <scalar dataType="xsd:string">ES64L-G16RevC.02</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList>
               <parameter dictRef="cc:method">
                  <scalar dataType="xsd:string">RwB97XD</scalar>
               </parameter>
               <parameter dictRef="cc:basis">
                  <scalar dataType="xsd:string">GenECP</scalar>
               </parameter>
               <parameter dictRef="g:operation">
                  <scalar dataType="xsd:string">FOpt</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">#</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">opt=modredundant</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">freq</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">wb97xd/genecp</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scrf=(solvent=toluene,pcm)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">nosymm</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">pop=(regular,orbitals=20)</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">optcyc=300</scalar>
               </parameter>
               <parameter dictRef="g:keyword">
                  <scalar dataType="xsd:string">scfcyc=300</scalar>
               </parameter>
            </parameterList>
            <molecule cmlx:templateRef="mol"
                      formalCharge="0"
                      id="zmat"
                      spinMultiplicity="1">
               <atomArray>
                  <atom elementType="C"
                        id="a1"
                        x3="-0.13325"
                        y3="1.76953"
                        z3="0.92143"/>
                  <atom elementType="C"
                        id="a2"
                        x3="0.18347"
                        y3="0.48036"
                        z3="0.47134"/>
                  <atom elementType="C"
                        id="a3"
                        x3="1.46906"
                        y3="-0.05932"
                        z3="0.40953"/>
                  <atom elementType="C"
                        id="a4"
                        x3="2.45954"
                        y3="0.8043"
                        z3="0.90265"/>
                  <atom elementType="C"
                        id="a5"
                        x3="2.17589"
                        y3="2.09144"
                        z3="1.35988"/>
                  <atom elementType="C"
                        id="a6"
                        x3="0.87828"
                        y3="2.60196"
                        z3="1.36394"/>
                  <atom elementType="H"
                        id="a7"
                        x3="3.4871"
                        y3="0.46841"
                        z3="0.95482"/>
                  <atom elementType="H"
                        id="a8"
                        x3="2.98924"
                        y3="2.70803"
                        z3="1.72871"/>
                  <atom elementType="H"
                        id="a9"
                        x3="0.67549"
                        y3="3.6045"
                        z3="1.72464"/>
                  <atom elementType="C"
                        id="a10"
                        x3="-1.63157"
                        y3="1.99844"
                        z3="0.87828"/>
                  <atom elementType="H"
                        id="a11"
                        x3="-1.90182"
                        y3="2.80002"
                        z3="0.1835"/>
                  <atom elementType="H"
                        id="a12"
                        x3="-2.03179"
                        y3="2.27029"
                        z3="1.85948"/>
                  <atom elementType="C"
                        id="a13"
                        x3="-1.06731"
                        y3="-0.1883"
                        z3="0.18298"/>
                  <atom elementType="C"
                        id="a14"
                        x3="-2.15499"
                        y3="0.66181"
                        z3="0.41441"/>
                  <atom elementType="C"
                        id="a15"
                        x3="-2.41406"
                        y3="-1.94037"
                        z3="-0.39335"/>
                  <atom elementType="C"
                        id="a16"
                        x3="-3.4233"
                        y3="0.1608"
                        z3="0.21715"/>
                  <atom elementType="C"
                        id="a17"
                        x3="-3.5483"
                        y3="-1.17289"
                        z3="-0.19728"/>
                  <atom elementType="H"
                        id="a18"
                        x3="-2.4776"
                        y3="-2.9749"
                        z3="-0.71103"/>
                  <atom elementType="H"
                        id="a19"
                        x3="-4.30698"
                        y3="0.7682"
                        z3="0.38041"/>
                  <atom elementType="H"
                        id="a20"
                        x3="-4.52392"
                        y3="-1.61185"
                        z3="-0.36166"/>
                  <atom elementType="N"
                        id="a21"
                        x3="-1.1796"
                        y3="-1.45163"
                        z3="-0.19809"/>
                  <atom elementType="B"
                        id="a22"
                        x3="1.81731"
                        y3="-1.5762"
                        z3="-0.06158"/>
                  <atom elementType="H"
                        id="a23"
                        x3="0.91099"
                        y3="-2.20818"
                        z3="-0.88076"/>
                  <atom elementType="H"
                        id="a24"
                        x3="0.09883"
                        y3="-1.9840"
                        z3="-0.51522"/>
                  <atom elementType="C"
                        id="a25"
                        x3="1.94562"
                        y3="-2.60909"
                        z3="1.23355"/>
                  <atom elementType="C"
                        id="a26"
                        x3="1.52661"
                        y3="-4.04869"
                        z3="0.88547"/>
                  <atom elementType="H"
                        id="a27"
                        x3="2.13901"
                        y3="-4.48566"
                        z3="0.0955"/>
                  <atom elementType="H"
                        id="a28"
                        x3="1.61349"
                        y3="-4.69764"
                        z3="1.76682"/>
                  <atom elementType="H"
                        id="a29"
                        x3="0.4817"
                        y3="-4.08796"
                        z3="0.55605"/>
                  <atom elementType="C"
                        id="a30"
                        x3="1.04282"
                        y3="-2.16292"
                        z3="2.40194"/>
                  <atom elementType="H"
                        id="a31"
                        x3="1.32599"
                        y3="-1.17781"
                        z3="2.78284"/>
                  <atom elementType="H"
                        id="a32"
                        x3="-0.01089"
                        y3="-2.11505"
                        z3="2.10842"/>
                  <atom elementType="H"
                        id="a33"
                        x3="1.11776"
                        y3="-2.87567"
                        z3="3.23368"/>
                  <atom elementType="C"
                        id="a34"
                        x3="3.38715"
                        y3="-2.64419"
                        z3="1.76785"/>
                  <atom elementType="H"
                        id="a35"
                        x3="3.44361"
                        y3="-3.26069"
                        z3="2.67488"/>
                  <atom elementType="H"
                        id="a36"
                        x3="4.08312"
                        y3="-3.06866"
                        z3="1.03961"/>
                  <atom elementType="H"
                        id="a37"
                        x3="3.7454"
                        y3="-1.6439"
                        z3="2.03258"/>
                  <atom elementType="C"
                        id="a38"
                        x3="2.88594"
                        y3="-1.61466"
                        z3="-1.34739"/>
                  <atom elementType="C"
                        id="a39"
                        x3="3.15034"
                        y3="-3.04515"
                        z3="-1.84706"/>
                  <atom elementType="H"
                        id="a40"
                        x3="3.73154"
                        y3="-3.02293"
                        z3="-2.77811"/>
                  <atom elementType="H"
                        id="a41"
                        x3="3.72169"
                        y3="-3.63152"
                        z3="-1.12226"/>
                  <atom elementType="H"
                        id="a42"
                        x3="2.22016"
                        y3="-3.58577"
                        z3="-2.05525"/>
                  <atom elementType="C"
                        id="a43"
                        x3="2.25229"
                        y3="-0.8326"
                        z3="-2.51627"/>
                  <atom elementType="H"
                        id="a44"
                        x3="1.31236"
                        y3="-1.28961"
                        z3="-2.84712"/>
                  <atom elementType="H"
                        id="a45"
                        x3="2.03707"
                        y3="0.20293"
                        z3="-2.23412"/>
                  <atom elementType="H"
                        id="a46"
                        x3="2.92744"
                        y3="-0.81026"
                        z3="-3.38146"/>
                  <atom elementType="C"
                        id="a47"
                        x3="4.26017"
                        y3="-0.96728"
                        z3="-1.08418"/>
                  <atom elementType="H"
                        id="a48"
                        x3="4.92538"
                        y3="-1.15592"
                        z3="-1.93691"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.18373"
                        y3="0.11697"
                        z3="-0.97993"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.75273"
                        y3="-1.36293"
                        z3="-0.19293"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a22 a38" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
               </bondArray>
               <formula concise="C20H28BN"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">265.0316999999999</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/C20H27BN.H/c1-19(2,3)21(20(4,5)6)16-11-7-9-14-13-15-10-8-12-22-18(15)17(14)16;/h7-12,21H,13H2,1-6H3;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:26,30,34,39,43,47,5,17,6,16,4,15,10,1,14,3,2,13,25,38,22,21;24/E:(1,2,3,4,5,6)(19,20);/CRV:7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,21.4,22.2;/rA:50nC3C3C3C3C3C3HHHCHHC3C3C3C3C3HHHN2B4HH0CCHHHCHHHCHHHCCHHHCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s4;s5;s6;s1;s10;s10;s2;s10s13;;s14;s15s16;s15;s16;s17;s13s15;s3;s22;;s22;s25;s26;s26;s26;s25;s30;s30;s30;s25;s34;s34;s34;s22;s38;s39;s39;s39;s38;s43;s43;s43;s38;s47;s47;s47;/rC:-.1333,1.7695,.9214;.1835,.4804,.4713;1.4691,-.0593,.4095;2.4595,.8043,.9026;2.1759,2.0914,1.3599;.8783,2.602,1.3639;3.4871,.4684,.9548;2.9892,2.708,1.7287;.6755,3.6045,1.7246;-1.6316,1.9984,.8783;-1.9018,2.8,.1835;-2.0318,2.2703,1.8595;-1.0673,-.1883,.183;-2.155,.6618,.4144;-2.4141,-1.9404,-.3933;-3.4233,.1608,.2172;-3.5483,-1.1729,-.1973;-2.4776,-2.9749,-.711;-4.307,.7682,.3804;-4.5239,-1.6119,-.3617;-1.1796,-1.4516,-.1981;1.8173,-1.5762,-.0616;.911,-2.2082,-.8808;.0988,-1.984,-.5152;1.9456,-2.6091,1.2335;1.5266,-4.0487,.8855;2.139,-4.4857,.0955;1.6135,-4.6976,1.7668;.4817,-4.088,.5561;1.0428,-2.1629,2.4019;1.326,-1.1778,2.7828;-.0109,-2.1151,2.1084;1.1178,-2.8757,3.2337;3.3872,-2.6442,1.7678;3.4436,-3.2607,2.6749;4.0831,-3.0687,1.0396;3.7454,-1.6439,2.0326;2.8859,-1.6147,-1.3474;3.1503,-3.0452,-1.8471;3.7315,-3.0229,-2.7781;3.7217,-3.6315,-1.1223;2.2202,-3.5858,-2.0553;2.2523,-.8326,-2.5163;1.3124,-1.2896,-2.8471;2.0371,.2029,-2.2341;2.9274,-.8103,-3.3815;4.2602,-.9673,-1.0842;4.9254,-1.1559,-1.9369;4.1837,.117,-.9799;4.7527,-1.3629,-.1929;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="entering" dictRef="cc:userDefinedModule">
                  <scalar dataType="xsd:string" dictRef="g:link0">/ccc/products/gaussian-16-C.02/system/default/g16/g16</scalar>
                  <array dataType="xsd:string" dictRef="g:command" size="1">Output=tbu_indenoPy.log</array>
               </module>
               <module cmlx:templateRef="l1" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l1.end">
                     <array dataType="xsd:string" dictRef="g:kk" size="1">nprocshared=128</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">mem=30GB</array>
                     <array dataType="xsd:string" dictRef="g:kk" size="1">chk=tbu_indenoPy.chk</array>
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title"># opt=modredundant freq wb97xd/genecp scrf=(solvent=toluene,pcm) nosym</scalar>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">1/6=300,18=120,19=15,26=3,38=1/1,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,12=2,15=1,17=6,18=5,40=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=7,11=2,16=1,17=8,25=1,30=1,70=2201,71=1,72=13,74=-58/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4//1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,7=300,38=5,53=13/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/28=1,96=20/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/6=300,18=20,19=15,26=3/3(2)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99//99</scalar>
                     </list>
                     <list cmlx:templateRef="control">
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">3/5=7,6=1,11=2,16=1,17=8,25=1,30=1,70=2205,71=1,72=13,74=-58,82=7/1,2,3</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">4/5=5,16=3,69=1/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">5/5=2,7=300,38=5,53=13/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">7/30=1/1,2,3,16</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">1/6=300,18=20,19=15,26=3/3(-5)</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">2/9=110,15=1/2</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">6/19=2,28=1,96=20/1</scalar>
                        <scalar dataType="xsd:string" dictRef="g:control">99/9=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">tbu_indenoPy</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101">Add virtual bond connecting atoms H24        and H23        Dist= 1.74D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">The following ModRedundant input section has been read:</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">B      22      23 F</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">B      23      24 F</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101">B      21      24 F</scalar>
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                     <scalar dataType="xsd:string" dictRef="x:l101"/>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="53">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="53">1 1 1 2 2 3 3 4 4 5 5 6 10 10 10 13 13 14 15 15 15 16 16 17 21 22 22 22 23 25 25 25 26 26 26 30 30 30 34 34 34 38 38 38 39 39 39 43 43 43 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="53">2 6 10 3 13 4 22 5 7 6 8 9 11 12 14 14 21 16 17 18 21 17 19 20 24 23 25 38 24 26 30 34 27 28 29 31 32 33 35 36 37 39 43 47 40 41 42 44 45 46 48 49 50</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="53">1.4017 1.3827 1.5163 1.3956 1.4473 1.4036 1.6261 1.3951 1.0823 1.3944 1.0852 1.0846 1.0947 1.094 1.5086 1.3998 1.3243 1.3779 1.3835 1.0841 1.342 1.4022 1.0847 1.0824 1.4207 1.3755 1.6615 1.6723 0.9184 1.5392 1.5425 1.5378 1.0909 1.0979 1.0963 1.0935 1.0949 1.0979 1.0982 1.0931 1.095 1.5381 1.5425 1.5417 1.0978 1.0934 1.0958 1.0963 1.0946 1.0977 1.0978 1.0919 1.0925</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="53">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|Frozen|Frozen|estimate D2E/DX2|estimate D2E/DX2|Frozen|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="95">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="95">2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 1 1 11 11 12 2 2 14 10 10 13 17 17 18 14 14 17 15 15 16 13 3 3 3 23 23 25 22 22 22 22 26 26 30 25 25 25 27 27 28 25 25 25 31 31 32 25 25 25 35 35 36 22 22 22 39 39 43 38 38 38 40 40 41 38 38 38 44 44 45 38 38 38 48 48 49</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="95">1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 10 10 10 10 10 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 21 22 22 22 22 22 22 23 25 25 25 25 25 25 26 26 26 26 26 26 30 30 30 30 30 30 34 34 34 34 34 34 38 38 38 38 38 38 39 39 39 39 39 39 43 43 43 43 43 43 47 47 47 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="95">6 10 10 3 13 13 4 22 22 5 7 7 6 8 8 5 9 9 11 12 14 12 14 14 14 21 21 13 16 16 18 21 21 17 19 19 16 20 20 15 23 25 38 25 38 38 24 26 30 34 30 34 34 27 28 29 28 29 29 31 32 33 32 33 33 35 36 37 36 37 37 39 43 47 43 47 47 40 41 42 41 42 42 44 45 46 45 46 46 48 49 50 49 50 50</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="95">119.4159 110.6692 129.8724 125.3093 107.0746 127.4872 113.3625 124.8083 121.6427 122.6398 119.7333 117.6169 121.8664 118.895 119.2372 117.349 121.7444 120.8894 111.8733 111.9308 102.5824 107.2761 111.591 111.6559 110.9779 124.8437 124.1279 108.6227 133.2812 118.0839 121.5257 122.1078 116.3662 118.049 121.6517 120.2982 119.7659 119.5043 120.7292 117.8586 117.3894 111.7536 112.3989 103.2673 87.2814 122.3898 103.5029 112.5894 111.4336 110.9418 106.4094 108.2047 106.9822 112.6797 110.4711 111.1566 107.4654 107.6447 107.1848 111.8931 111.8919 110.2491 107.651 107.655 107.2878 110.3644 111.9765 111.7057 107.4297 107.2376 107.9082 112.3951 107.9674 115.3823 107.2154 107.0231 106.4177 110.3464 111.9142 112.0007 107.2411 107.3525 107.7535 111.6875 111.4112 110.7891 107.6733 107.3355 107.7485 109.5931 111.7685 112.8984 106.6902 107.3525 108.2575</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="95">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="141">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="141">6 6 10 10 2 2 10 10 2 2 2 6 6 6 1 1 13 13 1 1 3 3 2 2 22 22 2 2 2 4 4 4 3 3 7 7 4 4 8 8 1 1 11 11 12 12 2 2 21 21 2 14 10 10 13 13 18 18 21 21 17 18 14 14 19 19 3 25 38 3 3 3 23 23 23 38 38 38 3 3 3 23 23 23 25 25 25 22 22 22 30 30 30 34 34 34 22 22 22 26 26 26 34 34 34 22 22 22 26 26 26 30 30 30 22 22 22 43 43 43 47 47 47 22 22 22 39 39 39 47 47 47 22 22 22 39 39 39 43 43 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="141">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 10 10 10 10 10 10 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="141">2 2 2 2 6 6 6 6 10 10 10 10 10 10 3 3 3 3 13 13 13 13 4 4 4 4 22 22 22 22 22 22 5 5 5 5 6 6 6 6 14 14 14 14 14 14 14 14 14 14 21 21 16 16 16 16 17 17 17 17 21 21 17 17 17 17 23 23 23 25 25 25 25 25 25 25 25 25 38 38 38 38 38 38 38 38 38 26 26 26 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 34 34 34 34 34 34 34 34 34 39 39 39 39 39 39 39 39 39 43 43 43 43 43 43 43 43 43 47 47 47 47 47 47 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="141">3 13 3 13 5 9 5 9 11 12 14 11 12 14 4 22 4 22 14 21 14 21 5 7 5 7 23 25 38 23 25 38 6 8 6 8 1 9 1 9 13 16 13 16 13 16 10 16 10 16 15 15 17 19 17 19 16 20 16 20 13 13 15 20 15 20 24 24 24 26 30 34 26 30 34 26 30 34 39 43 47 39 43 47 39 43 47 27 28 29 27 28 29 27 28 29 31 32 33 31 32 33 31 32 33 35 36 37 35 36 37 35 36 37 40 41 42 40 41 42 40 41 42 44 45 46 44 45 46 44 45 46 48 49 50 48 49 50 48 49 50</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="141">-0.8137 175.3099 -178.6733 -2.5497 -1.1927 -179.6971 176.1977 -2.3067 -116.9819 122.5795 2.7465 65.4476 -54.991 -174.824 2.4667 177.5554 -172.8618 2.2269 1.2891 -176.2089 177.3024 -0.1956 -2.2352 176.5836 -177.4989 1.3199 24.0921 -94.9224 123.0531 -161.2049 79.7805 -62.2439 0.4336 -179.9999 -178.4089 1.1577 1.3769 179.8948 -178.1883 0.3297 -1.892 176.7738 118.0325 -63.3017 -121.9161 56.7497 0.4841 -178.415 178.0035 -0.8956 178.2066 1.0291 -178.2564 1.3563 0.3105 179.9232 179.8448 0.1285 0.0766 -179.6396 -0.6026 179.618 0.0619 179.7745 -179.5563 0.1564 -42.176 81.2608 -156.0699 149.2966 29.8224 -89.2689 22.2132 -97.261 143.6476 -73.0578 167.468 48.3766 -176.5888 -58.5447 60.3197 -57.9969 60.0471 178.9115 46.0053 164.0494 -77.0863 60.4441 -179.3431 -60.4855 -177.2042 -56.9914 61.8662 -62.5355 57.6772 176.5349 -62.0533 58.8548 178.1691 174.8676 -64.2243 55.0901 59.3707 -179.7212 -60.4068 175.1166 -65.2575 55.9093 -60.9089 58.717 179.8838 53.3824 173.0083 -65.8249 171.5379 -69.127 52.0058 53.0504 172.3855 -66.4817 -60.7981 58.537 179.6699 -61.6124 58.844 178.785 59.7058 -179.8378 -59.8968 173.9617 -65.5819 54.3591 172.8853 -69.0545 53.2809 46.9914 165.0516 -72.613 -67.3956 50.6646 173.0</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="141">estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="9">Step number 20 out of a maximum of 300</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
                     <array cmlx:templateRef="eigenvaluelist"
                            dataType="xsd:double"
                            dictRef=""
                            size="289">0.00113 0.00232 0.00239 0.00252 0.00264 0.00280 0.00295 0.00568 0.00864 0.01103 0.01253 0.01396 0.01561 0.01721 0.01870 0.01968 0.02068 0.02140 0.02159 0.02164 0.02195 0.02236 0.02245 0.02259 0.02357 0.02490 0.02561 0.03527 0.04126 0.04296 0.04755 0.04959 0.05127 0.05168 0.05234 0.05301 0.05305 0.05335 0.05433 0.05440 0.05461 0.05484 0.05488 0.05532 0.05633 0.05954 0.06128 0.06656 0.07143 0.08436 0.09251 0.11929 0.13130 0.14159 0.15180 0.15586 0.15733 0.15880 0.15954 0.15992 0.15997 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16003 0.16005 0.16006 0.16010 0.16024 0.16038 0.16075 0.16084 0.16209 0.16296 0.17006 0.18137 0.20311 0.21885 0.22108 0.22281 0.22944 0.23295 0.23782 0.24193 0.24752 0.25166 0.27516 0.27836 0.28304 0.28525 0.28588 0.28833 0.29216 0.29418 0.30620 0.30980 0.33189 0.33894 0.33914 0.33922 0.33926 0.33931 0.33943 0.34117 0.34121 0.34179 0.34273 0.34291 0.34300 0.34356 0.34435 0.34460 0.34482 0.34592 0.34741 0.34884 0.35370 0.35438 0.35447 0.35511 0.35711 0.36314 0.37068 0.38534 0.40728 0.42891 0.43951 0.44823 0.45904 0.46357 0.47222 0.47905 0.48329 0.52513 0.56162 0.66112 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000</array>
                  </module>
                  <module cmlx:templateRef="rfo">
                     <list cmlx:templateRef="rfo">
                        <scalar dataType="xsd:double" dictRef="g:lambda">-1.48641008e-07</scalar>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
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                     </list>
                  </module>
                  <module cmlx:templateRef="l103.optimizedparam">
                     <list cmlx:templateRef="completed">
                        <scalar dataType="xsd:string" dictRef="g:optimization">Optimization completed.</scalar>
                        <scalar dataType="xsd:string" dictRef="g:optimization">-- Stationary point found.</scalar>
                     </list>
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="53">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="53">1 1 1 2 2 3 3 4 4 5 5 6 10 10 10 13 13 14 15 15 15 16 16 17 21 22 22 22 23 25 25 25 26 26 26 30 30 30 34 34 34 38 38 38 39 39 39 43 43 43 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="53">2 6 10 3 13 4 22 5 7 6 8 9 11 12 14 14 21 16 17 18 21 17 19 20 24 23 25 38 24 26 30 34 27 28 29 31 32 33 35 36 37 39 43 47 40 41 42 44 45 46 48 49 50</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="53">1.4057 1.382 1.514 1.4019 1.4585 1.4041 1.632 1.3928 1.0833 1.393 1.0851 1.0846 1.0944 1.0944 1.5048 1.4003 1.3266 1.3784 1.3833 1.0838 1.3394 1.4009 1.0847 1.0823 1.4207 1.3755 1.6611 1.6532 0.9184 1.5414 1.5404 1.5386 1.0907 1.0978 1.0958 1.093 1.0969 1.0979 1.0982 1.0937 1.0934 1.5361 1.5411 1.5402 1.0981 1.0935 1.0954 1.0957 1.0948 1.0977 1.0979 1.0929 1.0935</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="53">-DE/DX =   -0.0003|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =   -0.0007|-DE/DX =   -0.0005|-DE/DX =    0.0|-DE/DX =   -0.0003|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0002|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0002|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0053|-DE/DX =   -0.002|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0047|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="95">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="95">2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 1 1 11 11 12 2 2 14 10 10 13 17 17 18 14 14 17 15 15 16 13 3 3 3 23 23 25 22 22 22 22 26 26 30 25 25 25 27 27 28 25 25 25 31 31 32 25 25 25 35 35 36 22 22 22 39 39 43 38 38 38 40 40 41 38 38 38 44 44 45 38 38 38 48 48 49</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="95">1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 10 10 10 10 10 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 21 22 22 22 22 22 22 23 25 25 25 25 25 25 26 26 26 26 26 26 30 30 30 30 30 30 34 34 34 34 34 34 38 38 38 38 38 38 39 39 39 39 39 39 43 43 43 43 43 43 47 47 47 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="95">6 10 10 3 13 13 4 22 22 5 7 7 6 8 8 5 9 9 11 12 14 12 14 14 14 21 21 13 16 16 18 21 21 17 19 19 16 20 20 15 23 25 38 25 38 38 24 26 30 34 30 34 34 27 28 29 28 29 29 31 32 33 32 33 33 35 36 37 36 37 37 39 43 47 43 47 47 40 41 42 41 42 42 44 45 46 45 46 46 48 49 50 49 50 50</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="95">120.153 111.2057 128.6413 124.1327 106.363 129.5043 113.6432 127.131 119.225 123.1925 119.2327 117.5747 121.3732 119.1286 119.4981 117.5042 121.4918 121.004 111.8425 111.9055 102.5848 107.2719 111.6788 111.6267 110.953 125.9575 123.0888 108.892 132.7032 118.4045 121.744 121.8143 116.4417 118.2833 121.4323 120.2844 119.5804 119.5788 120.8407 118.8279 114.4909 112.9885 111.5587 94.4044 97.1506 123.5228 115.776 112.675 109.5821 112.6896 106.1922 107.2069 108.1942 112.7433 110.1757 111.3571 107.3876 107.6989 107.2379 112.0623 111.1426 110.7102 107.4059 107.8051 107.5159 110.2449 111.6945 112.4189 107.3485 107.0168 107.8714 113.1162 108.8992 112.6353 107.2613 107.5914 107.032 110.4012 111.888 111.7144 107.2422 107.5207 107.8618 111.5333 111.6846 110.7024 107.7825 107.3449 107.5921 109.9486 111.7164 112.3636 107.2253 107.4159 107.9427</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="95">-DE/DX =   -0.0002|-DE/DX =   -0.0002|-DE/DX =    0.0004|-DE/DX =    0.0004|-DE/DX =    0.0003|-DE/DX =   -0.0007|-DE/DX =    0.0001|-DE/DX =   -0.0011|-DE/DX =    0.001|-DE/DX =   -0.0002|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0003|-DE/DX =    0.0004|-DE/DX =   -0.0001|-DE/DX =    0.0002|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0003|-DE/DX =   -0.0003|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="140">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="140">6 6 10 10 2 2 10 10 2 2 2 6 6 6 1 1 13 13 1 1 3 3 2 2 22 22 2 2 2 4 4 4 3 3 7 7 4 4 8 8 1 1 11 11 12 12 2 2 21 21 2 14 10 10 13 13 18 18 21 21 17 18 14 14 19 19 3 25 38 3 3 3 23 23 23 38 38 38 3 3 3 23 23 23 25 25 25 22 22 22 30 30 30 34 34 34 22 22 22 26 26 26 34 34 34 22 22 22 26 26 26 30 30 30 22 22 22 43 43 43 47 47 47 22 22 22 39 39 39 47 47 47 22 22 22 39 39 39 43 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="140">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 10 10 10 10 10 10 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="140">2 2 2 2 6 6 6 6 10 10 10 10 10 10 3 3 3 3 13 13 13 13 4 4 4 4 22 22 22 22 22 22 5 5 5 5 6 6 6 6 14 14 14 14 14 14 14 14 14 14 21 21 16 16 16 16 17 17 17 17 21 21 17 17 17 17 23 23 23 25 25 25 25 25 25 25 25 25 38 38 38 38 38 38 38 38 38 26 26 26 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 34 34 34 34 34 34 34 34 34 39 39 39 39 39 39 39 39 39 43 43 43 43 43 43 43 43 43 47 47 47 47 47 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="140">3 13 3 13 5 9 5 9 11 12 14 11 12 14 4 22 4 22 14 21 14 21 5 7 5 7 23 25 38 23 25 38 6 8 6 8 1 9 1 9 13 16 13 16 13 16 10 16 10 16 15 15 17 19 17 19 16 20 16 20 13 13 15 20 15 20 24 24 24 26 30 34 26 30 34 26 30 34 39 43 47 39 43 47 39 43 47 27 28 29 27 28 29 27 28 29 31 32 33 31 32 33 31 32 33 35 36 37 35 36 37 35 36 37 40 41 42 40 41 42 40 41 42 44 45 46 44 45 46 44 45 46 48 49 50 48 49 50 48 49</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="140">-0.2785 179.6361 179.6983 -0.3871 -0.0375 -179.9949 179.9902 0.0328 -119.5525 120.0537 0.2661 60.4218 -59.9719 -179.7596 0.3854 -179.2958 -179.5083 0.8104 0.3668 -179.3402 -179.7249 0.5681 -0.2044 179.8929 179.5044 -0.3983 -6.5965 -113.1507 102.4935 173.7381 67.1839 -77.1719 -0.0842 179.9979 179.82 -0.0979 0.2096 -179.8327 -179.8728 0.0848 -0.0329 179.76 119.8995 -60.3077 -120.0143 59.7786 -0.2015 179.9716 179.5155 -0.3115 179.8923 0.2188 -179.6511 0.2876 0.1261 -179.9352 179.8011 -0.1029 -0.2294 179.8665 0.0563 -179.9727 0.1282 -179.969 -179.8113 0.0916 9.2739 127.0176 -108.3779 150.9863 32.9912 -87.5354 32.0183 -85.9768 153.4966 -69.5643 172.4406 51.914 -177.8067 -58.6524 59.915 -57.8867 61.2676 179.835 42.2472 161.4014 -80.0311 62.6598 -177.3902 -58.5299 -177.3695 -57.4195 61.4407 -61.8832 58.0668 176.9271 -65.3513 54.8344 174.2534 172.6859 -67.1284 52.2906 57.8707 178.0565 -62.5246 177.1165 -63.6235 57.8033 -58.3495 60.9106 -177.6626 55.7972 175.0572 -63.516 173.3256 -67.3183 53.7322 53.2309 172.5871 -66.3625 -61.6215 57.7346 178.785 -62.91 57.7688 177.6353 59.8363 -179.4849 -59.6184 175.062 -64.2592 55.6073 176.8896 -64.1858 57.3098 51.5491 170.4737 -68.0308 -63.4556 55.469</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="140">-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =    0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =   -0.0001|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0|-DE/DX =    0.0</array>
                     </list>
                  </module>
                  <scalar dictRef="l103.converged.count">1</scalar>
               </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="pseudopot">
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">2</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">3</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">4</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">5</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">6</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">7</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">8</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">9</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">10</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">11</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">12</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">13</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">14</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">15</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">16</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">17</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">18</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">19</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">20</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">21</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">7</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">22</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">5</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">23</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">24</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">25</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">26</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">27</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">28</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">29</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">30</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">31</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">32</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">33</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">34</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">35</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">36</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">37</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">38</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">39</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">40</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">41</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">42</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">43</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">44</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">45</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">46</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">47</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">6</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">48</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">49</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                        <module cmlx:templateRef="atom">
                           <scalar dataType="xsd:integer" dictRef="cc:serial">50</scalar>
                           <scalar dataType="xsd:integer" dictRef="cc:elementType">1</scalar>
                           <scalar dataType="xsd:string" dictRef="cc:nopseudo">No pseudopotential on this center.</scalar>
                        </module>
                     </module>
                     <module cmlx:templateRef="natoms">
                        <list cmlx:templateRef="natoms">
                           <list>
                              <scalar dataType="xsd:integer" dictRef="cc:natoms">50</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:nactiveatoms">50</scalar>
                              <scalar dataType="xsd:integer" dictRef="cc:uniqatoms">50</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">F</scalar>
                           </list>
                        </list>
                     </module>
                  </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="C"
                                 id="a1"
                                 x3="-0.133249"
                                 y3="1.769527"
                                 z3="0.921425">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="0.183465"
                                 y3="0.480364"
                                 z3="0.471344">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="1.469055"
                                 y3="-0.059315"
                                 z3="0.409527">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="2.459537"
                                 y3="0.804297"
                                 z3="0.902647">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="2.175893"
                                 y3="2.091442"
                                 z3="1.359883">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.878283"
                                 y3="2.601962"
                                 z3="1.363941">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="3.4871"
                                 y3="0.468409"
                                 z3="0.954823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="2.989239"
                                 y3="2.708027"
                                 z3="1.728705">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="0.675491"
                                 y3="3.604501"
                                 z3="1.72464">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-1.631566"
                                 y3="1.998438"
                                 z3="0.878284">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-1.901819"
                                 y3="2.800021"
                                 z3="0.1835">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-2.031786"
                                 y3="2.270289"
                                 z3="1.859482">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="-1.067306"
                                 y3="-0.188298"
                                 z3="0.182979">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="-2.154993"
                                 y3="0.661811"
                                 z3="0.414409">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-2.414063"
                                 y3="-1.94037"
                                 z3="-0.393352">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-3.423295"
                                 y3="0.160799"
                                 z3="0.217149">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="-3.548296"
                                 y3="-1.172892"
                                 z3="-0.197282">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-2.477603"
                                 y3="-2.974898"
                                 z3="-0.711025">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-4.306976"
                                 y3="0.768203"
                                 z3="0.380408">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.523916"
                                 y3="-1.611847"
                                 z3="-0.361661">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a21"
                                 x3="-1.179602"
                                 y3="-1.451633"
                                 z3="-0.19809">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="B"
                                 id="a22"
                                 x3="1.817312"
                                 y3="-1.576204"
                                 z3="-0.061575">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="0.910988"
                                 y3="-2.20818"
                                 z3="-0.880759">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="0.098827"
                                 y3="-1.983998"
                                 z3="-0.51522">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="1.945623"
                                 y3="-2.609089"
                                 z3="1.233545">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.526609"
                                 y3="-4.048689"
                                 z3="0.885466">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="2.139005"
                                 y3="-4.485655"
                                 z3="0.095498">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="1.613489"
                                 y3="-4.697636"
                                 z3="1.766823">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.481698"
                                 y3="-4.087962"
                                 z3="0.556045">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a30"
                                 x3="1.04282"
                                 y3="-2.162919"
                                 z3="2.401943">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.325985"
                                 y3="-1.177812"
                                 z3="2.782842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="-0.010886"
                                 y3="-2.11505"
                                 z3="2.108417">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="1.117764"
                                 y3="-2.875674"
                                 z3="3.233683">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a34"
                                 x3="3.387151"
                                 y3="-2.644194"
                                 z3="1.767852">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="3.443605"
                                 y3="-3.260689"
                                 z3="2.674884">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="4.083115"
                                 y3="-3.068661"
                                 z3="1.039614">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="3.745396"
                                 y3="-1.6439"
                                 z3="2.032578">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="2.885935"
                                 y3="-1.614656"
                                 z3="-1.34739">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a39"
                                 x3="3.15034"
                                 y3="-3.045153"
                                 z3="-1.847056">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="3.731543"
                                 y3="-3.022935"
                                 z3="-2.778108">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="3.721694"
                                 y3="-3.631515"
                                 z3="-1.122258">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="2.22016"
                                 y3="-3.585771"
                                 z3="-2.055252">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a43"
                                 x3="2.252287"
                                 y3="-0.8326"
                                 z3="-2.516271">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="1.312364"
                                 y3="-1.289607"
                                 z3="-2.847124">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="2.037073"
                                 y3="0.202927"
                                 z3="-2.234121">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.92744"
                                 y3="-0.81026"
                                 z3="-3.38146">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a47"
                                 x3="4.260167"
                                 y3="-0.967276"
                                 z3="-1.084177">
                              <property dictRef="g:atomicType">
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                           <bond atomRefs2="a2 a3" order="S"/>
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                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a7" order="S"/>
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                           <bond atomRefs2="a13 a14" order="S"/>
                           <bond atomRefs2="a13 a21" order="S"/>
                           <bond atomRefs2="a14 a16" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
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                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a16 a19" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a22 a38" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a34" order="S"/>
                           <bond atomRefs2="a25 a30" order="S"/>
                           <bond atomRefs2="a26 a27" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a26 a29" order="S"/>
                           <bond atomRefs2="a30 a31" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a30 a32" order="S"/>
                           <bond atomRefs2="a34 a36" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a34 a35" order="S"/>
                           <bond atomRefs2="a38 a39" order="S"/>
                           <bond atomRefs2="a38 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a39 a40" order="S"/>
                           <bond atomRefs2="a39 a41" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a43 a45" order="S"/>
                           <bond atomRefs2="a43 a44" order="S"/>
                           <bond atomRefs2="a47 a49" order="S"/>
                           <bond atomRefs2="a47 a48" order="S"/>
                           <bond atomRefs2="a47 a50" order="S"/>
                        </bondArray>
                        <formula concise="C20H28BN"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">265.0316999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C20H27BN.H/c1-19(2,3)21(20(4,5)6)16-11-7-9-14-13-15-10-8-12-22-18(15)17(14)16;/h7-12,21H,13H2,1-6H3;">
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0.88485 0.21243 0.21482 0.21387 0.73563 0.50525 0.50588 0.50450 0.48946 0.26476 0.34777 0.34230 0.06319 -0.01301 0.00020 0.01393 0.00684 0.01131 0.01067 0.00979 0.00895 0.27211 0.47968 0.07298 -0.00889 0.00445 0.00728 0.01003 0.27380 0.47755 0.07267 -0.01167 0.00776 0.00605 0.00877 0.27314 0.47811 0.07034 -0.02081 0.00535 0.01158 0.00528 1.10448 0.88511 0.20561 0.19748 0.21234 0.72141 0.49764 0.48362 0.51505 0.54299 0.30419 0.26427 0.32794 -0.37990 -0.01543 -0.09706 0.10413 0.01150 0.01294 0.01426 0.01572 0.01396 1.10433 0.88483 0.21421 0.21329 0.21361 0.73639 0.50359 0.50602 0.50396 0.48060 0.34622 0.26112 0.34390 0.15023 0.02238 -0.01454 0.01481 0.00770 0.01141 0.00933 0.00677 0.01227 0.27246 0.47945 0.07168 0.00218 0.00700 0.00444 0.01030 0.27356 0.47939 0.06889 -0.00438 0.00695 0.00689 0.00871 0.27306 0.48095 0.06929 -0.01225 0.01055 0.00649 0.00511 1.10433 0.88485 0.21433 0.21548 0.21069 0.73628 0.50462 0.50806 0.50002 0.48756 0.33034 0.32839 0.30217 0.18304 0.01443 0.00932 0.04117 0.01029 0.01344 0.00614 0.01084 0.00661 0.27269 0.48523 0.06833 -0.01836 0.01050 0.00614 0.00544 0.27259 0.47463 0.06144 -0.02868 0.00513 0.01171 0.00543 0.27218 0.47989 0.06550 -0.00909 0.00766 0.00474 0.00927 1.10431 0.88486 0.20889 0.21662 0.21648 0.73468 0.50055 0.50861 0.50828 0.49020 0.28047 0.33041 0.35284 0.09466 0.03769 0.00339 -0.00856 0.00770 0.01641 0.00383 0.01323 0.00595 0.27227 0.47898 0.07402 -0.00696 0.00726 0.00512 0.00948 0.27396 0.47533 0.07901 0.00398 0.00477 0.01284 0.00521 0.27378 0.47444 0.07338 0.01566 0.00609 0.00601 0.01061</matrix>
                  </module>
                  <list cmlx:templateRef="multipole" dictRef="cc:multipole">
                     <array dataType="xsd:double" dictRef="cc:dipole" size="3">-6.5950 2.3834 0.2359</array>
                     <scalar dataType="xsd:double" dictRef="x:dipole">7.0164</scalar>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">-127.6673 -134.6821 -144.3698</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">6.7254 2.0067 6.4937</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">7.9057 0.8910 -8.7967 6.7254 2.0067 6.4937</array>
                     <array dataType="xsd:double" dictRef="cc:octapole" size="10">-411.3414 349.8566 -98.7113 -142.4617 119.0243 -21.7099 -116.2425 117.3870 -28.5725 -4.3765</array>
                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-4756.2282 -3539.3936 -1650.5975 823.7530 107.6082 815.0327 -51.5515 62.9415 -111.9597 -1381.9281 -1124.0900 -854.8519 2.9782 52.4822 255.5962</array>
                  </list>
               </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="C"
                                 id="a1"
                                 x3="-0.126825"
                                 y3="1.723491"
                                 z3="0.980009">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a2"
                                 x3="0.154312"
                                 y3="0.415412"
                                 z3="0.54899">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a3"
                                 x3="1.419729"
                                 y3="-0.183159"
                                 z3="0.625508">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a4"
                                 x3="2.402327"
                                 y3="0.647168"
                                 z3="1.188195">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a5"
                                 x3="2.145484"
                                 y3="1.944475"
                                 z3="1.6250">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a6"
                                 x3="0.874101"
                                 y3="2.504883"
                                 z3="1.525333">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a7"
                                 x3="3.413999"
                                 y3="0.274055"
                                 z3="1.292283">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a8"
                                 x3="2.955098"
                                 y3="2.5287"
                                 z3="2.050137">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a9"
                                 x3="0.681383"
                                 y3="3.516784"
                                 z3="1.864949">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a10"
                                 x3="-1.582475"
                                 y3="2.073357"
                                 z3="0.754706">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a11"
                                 x3="-1.696121"
                                 y3="2.930316"
                                 z3="0.083544">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a12"
                                 x3="-2.09178"
                                 y3="2.32371"
                                 z3="1.690444">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a13"
                                 x3="-1.100288"
                                 y3="-0.128641"
                                 z3="0.041727">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a14"
                                 x3="-2.132037"
                                 y3="0.812521"
                                 z3="0.144302">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a15"
                                 x3="-2.497933"
                                 y3="-1.700088"
                                 z3="-0.877206">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a16"
                                 x3="-3.389718"
                                 y3="0.457096"
                                 z3="-0.293764">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a17"
                                 x3="-3.571326"
                                 y3="-0.82966"
                                 z3="-0.817002">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a18"
                                 x3="-2.599531"
                                 y3="-2.704264"
                                 z3="-1.272181">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a19"
                                 x3="-4.224178"
                                 y3="1.14785"
                                 z3="-0.238346">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a20"
                                 x3="-4.541154"
                                 y3="-1.151961"
                                 z3="-1.17331">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="N"
                                 id="a21"
                                 x3="-1.278019"
                                 y3="-1.347271"
                                 z3="-0.4514">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="B"
                                 id="a22"
                                 x3="1.830737"
                                 y3="-1.684281"
                                 z3="0.134622">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a23"
                                 x3="0.771482"
                                 y3="-2.460291"
                                 z3="-0.274851">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a24"
                                 x3="-0.033061"
                                 y3="-2.025461"
                                 z3="-0.3592">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a25"
                                 x3="2.245109"
                                 y3="-2.68737"
                                 z3="1.392209">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a26"
                                 x3="1.944069"
                                 y3="-4.169392"
                                 z3="1.094184">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a27"
                                 x3="2.517075"
                                 y3="-4.554545"
                                 z3="0.249829">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a28"
                                 x3="2.189451"
                                 y3="-4.788535"
                                 z3="1.966906">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a29"
                                 x3="0.881803"
                                 y3="-4.324462"
                                 z3="0.874365">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a30"
                                 x3="1.4160"
                                 y3="-2.322755"
                                 z3="2.63817">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a31"
                                 x3="1.654694"
                                 y3="-1.323844"
                                 z3="3.012268">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a32"
                                 x3="0.341621"
                                 y3="-2.342671"
                                 z3="2.418177">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a33"
                                 x3="1.600332"
                                 y3="-3.038279"
                                 z3="3.450233">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a34"
                                 x3="3.735486"
                                 y3="-2.591078"
                                 z3="1.761868">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a35"
                                 x3="3.95425"
                                 y3="-3.229919"
                                 z3="2.627956">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a36"
                                 x3="4.377801"
                                 y3="-2.922986"
                                 z3="0.941293">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a37"
                                 x3="4.033491"
                                 y3="-1.574118"
                                 z3="2.030986">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a38"
                                 x3="2.633233"
                                 y3="-1.65244"
                                 z3="-1.310413">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a39"
                                 x3="2.990439"
                                 y3="-3.052127"
                                 z3="-1.832842">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a40"
                                 x3="3.413053"
                                 y3="-2.986866"
                                 z3="-2.844213">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a41"
                                 x3="3.734927"
                                 y3="-3.545082"
                                 z3="-1.201664">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a42"
                                 x3="2.110312"
                                 y3="-3.702234"
                                 z3="-1.884524">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a43"
                                 x3="1.731396"
                                 y3="-0.986107"
                                 z3="-2.367659">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a44"
                                 x3="0.81512"
                                 y3="-1.562939"
                                 z3="-2.535861">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a45"
                                 x3="1.439339"
                                 y3="0.026174"
                                 z3="-2.070187">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a46"
                                 x3="2.252589"
                                 y3="-0.911488"
                                 z3="-3.330886">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="C"
                                 id="a47"
                                 x3="3.935695"
                                 y3="-0.832772"
                                 z3="-1.247208">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a48"
                                 x3="4.459314"
                                 y3="-0.886656"
                                 z3="-2.210688">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a49"
                                 x3="3.739601"
                                 y3="0.223045"
                                 z3="-1.044026">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                           <atom elementType="H"
                                 id="a50"
                                 x3="4.622525"
                                 y3="-1.201486"
                                 z3="-0.48037">
                              <property dictRef="g:atomicType">
                                 <scalar dataType="xsd:integer">0</scalar>
                              </property>
                           </atom>
                        </atomArray>
                        <bondArray>
                           <bond atomRefs2="a1 a2" order="S"/>
                           <bond atomRefs2="a1 a6" order="S"/>
                           <bond atomRefs2="a1 a10" order="S"/>
                           <bond atomRefs2="a2 a3" order="S"/>
                           <bond atomRefs2="a2 a13" order="S"/>
                           <bond atomRefs2="a3 a4" order="S"/>
                           <bond atomRefs2="a3 a22" order="S"/>
                           <bond atomRefs2="a4 a5" order="S"/>
                           <bond atomRefs2="a4 a7" order="S"/>
                           <bond atomRefs2="a5 a8" order="S"/>
                           <bond atomRefs2="a5 a6" order="S"/>
                           <bond atomRefs2="a6 a9" order="S"/>
                           <bond atomRefs2="a10 a12" order="S"/>
                           <bond atomRefs2="a10 a11" order="S"/>
                           <bond atomRefs2="a10 a14" order="S"/>
                           <bond atomRefs2="a13 a14" order="S"/>
                           <bond atomRefs2="a13 a21" order="S"/>
                           <bond atomRefs2="a14 a16" order="S"/>
                           <bond atomRefs2="a15 a21" order="S"/>
                           <bond atomRefs2="a15 a18" order="S"/>
                           <bond atomRefs2="a15 a17" order="S"/>
                           <bond atomRefs2="a16 a19" order="S"/>
                           <bond atomRefs2="a16 a17" order="S"/>
                           <bond atomRefs2="a17 a20" order="S"/>
                           <bond atomRefs2="a22 a38" order="S"/>
                           <bond atomRefs2="a22 a25" order="S"/>
                           <bond atomRefs2="a22 a23" order="S"/>
                           <bond atomRefs2="a25 a34" order="S"/>
                           <bond atomRefs2="a25 a26" order="S"/>
                           <bond atomRefs2="a25 a30" order="S"/>
                           <bond atomRefs2="a26 a28" order="S"/>
                           <bond atomRefs2="a26 a27" order="S"/>
                           <bond atomRefs2="a26 a29" order="S"/>
                           <bond atomRefs2="a30 a31" order="S"/>
                           <bond atomRefs2="a30 a33" order="S"/>
                           <bond atomRefs2="a30 a32" order="S"/>
                           <bond atomRefs2="a34 a36" order="S"/>
                           <bond atomRefs2="a34 a35" order="S"/>
                           <bond atomRefs2="a34 a37" order="S"/>
                           <bond atomRefs2="a38 a43" order="S"/>
                           <bond atomRefs2="a38 a47" order="S"/>
                           <bond atomRefs2="a38 a39" order="S"/>
                           <bond atomRefs2="a39 a40" order="S"/>
                           <bond atomRefs2="a39 a41" order="S"/>
                           <bond atomRefs2="a39 a42" order="S"/>
                           <bond atomRefs2="a43 a46" order="S"/>
                           <bond atomRefs2="a43 a44" order="S"/>
                           <bond atomRefs2="a43 a45" order="S"/>
                           <bond atomRefs2="a47 a50" order="S"/>
                           <bond atomRefs2="a47 a49" order="S"/>
                           <bond atomRefs2="a47 a48" order="S"/>
                        </bondArray>
                        <formula concise="C20H28BN"/>
                        <property dictRef="cml:molmass">
                           <scalar units="unit:dalton">265.0316999999999</scalar>
                        </property>
                        <formula convention="iupac:inchi"
                                 inline="InChI=1/C20H27BN.H/c1-19(2,3)21(20(4,5)6)16-11-7-9-14-13-15-10-8-12-22-18(15)17(14)16;/h7-12,21H,13H2,1-6H3;">
                           <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:26,30,34,39,43,47,5,17,6,16,4,15,10,1,14,3,2,13,25,38,22,21;24/E:(1,2,3,4,5,6)(19,20);/CRV:7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,21.4,22.2;/rA:50nC3C3C3C3C3C3HHHCHHC3C3C3C3C3HHHN2B4HH0CCHHHCHHHCHHHCCHHHCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s4;s5;s6;s1;s10;s10;s2;s10s13;;s14;s15s16;s15;s16;s17;s13s15;s3;s22;;s22;s25;s26;s26;s26;s25;s30;s30;s30;s25;s34;s34;s34;s22;s38;s39;s39;s39;s38;s43;s43;s43;s38;s47;s47;s47;/rC:-.1268,1.7235,.98;.1543,.4154,.549;1.4197,-.1832,.6255;2.4023,.6472,1.1882;2.1455,1.9445,1.625;.8741,2.5049,1.5253;3.414,.2741,1.2923;2.9551,2.5287,2.0501;.6814,3.5168,1.8649;-1.5825,2.0734,.7547;-1.6961,2.9303,.0835;-2.0918,2.3237,1.6904;-1.1003,-.1286,.0417;-2.132,.8125,.1443;-2.4979,-1.7001,-.8772;-3.3897,.4571,-.2938;-3.5713,-.8297,-.817;-2.5995,-2.7043,-1.2722;-4.2242,1.1479,-.2383;-4.5412,-1.152,-1.1733;-1.278,-1.3473,-.4514;1.8307,-1.6843,.1346;.7715,-2.4603,-.2749;-.0331,-2.0255,-.3592;2.2451,-2.6874,1.3922;1.9441,-4.1694,1.0942;2.5171,-4.5545,.2498;2.1895,-4.7885,1.9669;.8818,-4.3245,.8744;1.416,-2.3228,2.6382;1.6547,-1.3238,3.0123;.3416,-2.3427,2.4182;1.6003,-3.0383,3.4502;3.7355,-2.5911,1.7619;3.9543,-3.2299,2.628;4.3778,-2.923,.9413;4.0335,-1.5741,2.031;2.6332,-1.6524,-1.3104;2.9904,-3.0521,-1.8328;3.4131,-2.9869,-2.8442;3.7349,-3.5451,-1.2017;2.1103,-3.7022,-1.8845;1.7314,-.9861,-2.3677;.8151,-1.5629,-2.5359;1.4393,.0262,-2.0702;2.2526,-.9115,-3.3309;3.9357,-.8328,-1.2472;4.4593,-.8867,-2.2107;3.7396,.223,-1.044;4.6225,-1.2015,-.4804;</scalar>
                        </formula>
                     </molecule>
                  </module>
                  <module cmlx:templateRef="l202.distmat">
                     <array dataType="xsd:double" dictRef="cc:distance" size="1275">0.000000 1.405663 0.000000 2.480487 1.401935 0.000000 2.756524 2.348588 1.404121 0.000000 2.372390 2.731410 2.460189 1.392757 0.000000 1.381957 2.416037 2.886687 2.429042 1.392985 0.000000 3.838726 3.346345 2.151917 1.083295 2.123708 3.388509 0.000000 3.360325 3.816259 3.426529 2.142117 1.085143 2.146284 2.422470 0.000000 2.156900 3.409994 3.971264 3.413845 2.161787 1.084630 4.279068 2.486037 0.000000 1.513963 2.409882 3.757896 4.254477 3.830365 2.610526 5.337717 4.740785 2.905370 0.000000 2.173192 3.156816 4.438014 4.819781 4.255102 2.977547 5.884734 5.065828 3.028180 1.094419 0.000000 2.173943 3.160609 4.444005 4.822867 4.254704 2.975993 5.888397 5.063830 3.023956 1.094383 1.762568 0.000000 2.293119 1.458537 2.587326 3.766242 4.164084 3.610366 4.701578 5.247983 4.448326 2.364241 3.116726 3.116946 0.000000 2.355663 2.355603 3.719944 4.655912 4.665938 3.715939 5.689141 5.697054 4.264856 1.504765 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3.129335 4.495665 5.183378 4.835099 5.261574 6.261000 5.732692 3.639791 4.331134 4.327332 1.326583 2.397689 1.339395 2.782060 2.379253 2.064341 3.866636 3.347738 0.000000 4.019906 2.718605 1.631952 2.621524 3.935501 4.516451 2.771638 4.762626 5.600547 5.114134 5.808257 5.819856 3.319571 4.683770 4.445383 5.658813 5.551419 4.758858 6.694929 6.526488 3.181409 0.000000 4.459334 3.054387 2.533022 3.802165 4.989918 5.282438 4.112840 5.921468 6.349195 5.211052 5.939373 5.911626 3.006716 4.395158 3.410252 5.082036 4.670425 3.523907 6.162519 5.544643 2.338897 1.375456 0.000000 3.982074 2.611087 2.544470 3.933000 4.944037 4.989832 4.460649 5.956037 6.014461 4.521258 5.246095 5.230168 2.213062 3.565580 2.539644 4.175466 3.762824 2.807326 5.258324 4.663548 1.420692 1.958062 0.918413 0.000000 5.025104 3.835323 2.745935 3.344470 4.638761 5.371860 3.185330 5.305124 6.415625 6.141769 6.986007 6.633888 4.422960 5.741596 5.349899 6.669441 6.493275 5.528996 7.695407 7.415709 4.196093 1.661149 2.236566 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2.569516 3.053036 3.767043 3.465823 3.776440 4.336900 3.744650 1.093651 1.765909 0.000000 5.411747 4.604624 3.277481 2.881857 4.013713 5.184176 2.084513 4.242218 6.097661 6.817039 7.543931 7.268285 5.692296 6.875272 7.150730 8.039547 8.154661 7.495673 8.985993 9.163529 5.867354 2.908686 4.091807 4.738517 2.201290 3.461031 3.788798 3.706355 4.339966 2.789334 2.585386 3.790843 3.174632 1.093362 1.761911 1.767887 0.000000 4.925532 3.725378 2.716463 3.403610 4.668228 5.330979 3.330917 5.373903 6.372874 5.993202 6.456630 6.865906 4.253166 5.558780 5.149641 6.462171 6.278294 5.337566 7.484319 7.193129 4.016083 1.653221 2.278404 2.855358 2.919912 3.548532 3.296977 4.557725 3.870460 4.185963 4.444219 4.430608 5.064700 3.396309 4.443454 3.118972 3.623784 0.000000 6.358930 5.073516 4.091649 4.812206 6.134872 6.829099 4.583590 6.798854 7.883907 7.340132 7.837474 8.194030 5.366081 6.714490 5.732668 7.442433 7.002004 5.628776 8.498996 7.795544 4.799443 2.662109 2.775135 3.516705 3.330093 3.303128 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4.853197 8.146102 7.159030 4.368121 2.868317 2.434324 3.119651 3.432943 3.019697 2.333956 4.002477 3.083483 4.779099 5.462865 4.846639 5.400051 4.143915 4.897516 3.705938 4.853732 2.191964 1.095416 1.769150 1.769285 0.000000 4.690607 3.599762 3.114629 3.970118 4.970021 5.298807 4.220704 5.776525 6.268455 5.485547 5.752794 6.483808 3.815602 4.946830 4.540753 5.710489 5.527013 4.786341 6.675073 6.387398 3.585954 2.599755 2.733953 2.868356 4.158703 4.707748 4.494695 5.784179 4.730448 5.190802 5.391063 5.164878 6.170613 4.862644 5.910326 4.658769 4.999348 1.541129 2.477833 2.656711 3.452830 2.784662 0.000000 4.904001 3.723821 3.501943 4.612201 5.602195 5.748387 4.978294 6.507872 6.722246 5.458840 5.775548 6.435663 3.517095 4.638084 3.707596 5.175732 4.767922 3.815671 6.166156 5.542122 2.961878 2.859665 2.432964 2.381426 4.328851 4.609268 4.427914 5.706853 4.388633 5.263932 5.616386 5.037328 6.215024 5.296799 6.268810 5.160720 5.586961 2.194372 2.728357 2.978575 3.772830 2.584250 1.095713 0.000000 3.825892 2.943278 2.703882 3.453988 4.222905 4.403551 3.907293 5.053438 5.314522 4.615445 4.785781 5.647107 3.306637 4.275164 4.461535 5.163444 5.235426 4.940098 6.057162 6.161062 3.448312 2.817806 3.138753 3.050351 4.472222 5.279278 5.246615 6.327892 5.282922 5.261809 5.263105 5.192477 6.315998 5.177542 6.244956 5.138202 5.109812 2.195538 3.455167 3.684166 4.333350 3.792849 1.094760 1.769684 0.000000 5.584670 4.606177 4.108183 4.782669 5.720909 6.095464 4.912034 6.425249 7.005353 6.348943 6.481520 7.386055 4.819663 5.854408 5.404618 6.552310 6.343840 5.567349 7.466806 7.132174 4.576739 3.575599 3.732535 3.911016 5.045933 5.503668 5.115010 6.565217 5.586732 6.190410 6.384600 6.225095 7.136684 5.563824 6.616538 5.178239 5.688616 2.185454 2.714939 2.427081 3.696854 3.146501 1.097732 1.767136 1.769166 0.000000 5.291412 4.368426 3.202990 3.236144 4.378074 5.310394 2.818909 4.809735 6.260567 6.550072 6.902831 7.411048 5.245786 6.438996 6.502362 7.498966 7.519339 6.797962 8.457198 8.483178 5.299135 2.658076 3.688704 4.238170 3.641996 4.536709 4.255020 5.387760 5.100904 4.864676 4.856670 5.350907 5.690706 3.490882 4.556704 3.058429 3.362397 1.540214 2.482340 2.731978 2.720112 3.460059 2.477470 3.454238 2.765299 2.679693 0.000000 6.166529 5.276764 4.216395 4.258664 5.299209 6.189842 3.835458 5.664094 7.090406 7.352445 7.597510 8.272975 6.046249 7.202714 7.130437 8.190700 8.150877 7.349271 9.134133 9.063937 6.018658 3.611938 4.452403 4.990622 4.596318 5.293863 4.824919 6.150547 5.842486 5.902165 5.944433 6.364099 6.696961 4.382941 5.399856 3.753434 4.318070 2.175199 2.643789 2.430411 2.934296 3.681260 2.734240 3.720651 3.158045 2.474893 1.097895 0.000000 4.614900 3.927977 2.886893 2.636474 3.553622 4.474314 2.359440 3.937682 5.353834 5.914692 6.176390 6.774594 4.972632 6.019613 6.529403 7.172507 7.389817 6.986114 8.057677 8.395133 5.290899 2.944634 4.074513 4.444968 4.079126 5.204747 5.098431 6.048522 5.703250 5.043688 4.815934 5.487806 5.950720 3.973958 5.045046 3.774428 3.573775 2.193732 3.451120 3.694705 3.771426 4.332302 2.692015 3.737366 2.526455 2.954335 1.092926 1.763668 0.000000 5.765807 4.861982 3.538058 3.336302 4.523869 5.640098 2.603854 4.806045 6.579908 7.124046 7.570672 7.888050 5.845868 7.076055 7.148916 8.184238 8.209189 7.419124 9.156534 9.189975 5.902416 2.899204 4.056767 4.729492 3.371426 4.296722 4.026055 4.977543 5.057795 4.611327 4.584922 5.294338 5.287447 2.783062 3.771316 2.246014 2.606286 2.202184 2.813851 3.199713 2.607784 3.812690 3.459318 4.341892 3.763953 3.718351 1.093492 1.766283 1.768206 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.4000443 0.2331221 0.1978029</array>
                  </module>
               </module>
               <module cmlx:templateRef="l716.forces">
                  <list cmlx:templateRef="force">
                     <array dataType="xsd:integer" dictRef="x:serial" size="50">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</array>
                     <array dataType="xsd:integer" dictRef="x:elementType" size="50">6 6 6 6 6 6 1 1 1 6 1 1 6 6 6 6 6 1 1 1 7 5 1 1 6 6 1 1 1 6 1 1 1 6 1 1 1 6 6 1 1 1 6 1 1 1 6 1 1 1</array>
                     <list>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000506 0.000000178 0.000001425</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000102 -0.000000128 0.000002079</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000001615 0.000000810 -0.000001693</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000345 -0.000001435 0.000000015</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000641 0.000000694 -0.000000084</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000516 0.000000862 -0.000000547</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000658 0.000000216 0.000000020</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000420 -0.000000330 0.000000244</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000015 -0.000000342 -0.000000008</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000189 0.000002349 -0.000005959</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000310 0.000000365 0.000002206</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000290 -0.000001577 0.000001304</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000179 0.000001764 -0.000001082</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000173 -0.000001782 0.000001561</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000003400 0.000001186 -0.000000362</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000415 0.000000307 0.000000408</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000807 0.000000473 0.000001094</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000021 -0.000000013 0.000000136</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000695 0.000000136 -0.000000454</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000356 -0.000000456 -0.000000463</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.008502339 -0.004398625 -0.003349855</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.010003119 -0.005003541 -0.004149232</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.004098450 0.004287559 0.007736651</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.002596001 0.005110168 -0.000240586</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000040 0.000001680 0.000002789</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000004579 0.000000734 -0.000002365</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000002395 -0.000000252 -0.000000890</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000296 -0.000000941 0.000001845</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000559 0.000000710 0.000000095</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000470 -0.000000615 0.000002022</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000869 -0.000000741 -0.000000217</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000776 0.000000116 0.000000268</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000151 0.000000653 -0.000000639</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000203 -0.000002170 -0.000003500</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000100 0.000000655 0.000000164</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000554 0.000000177 0.000001665</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000461 0.000000905 -0.000000183</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000892 0.000000469 0.000000530</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000574 -0.000000417 0.000000838</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000049 0.000000569 -0.000000755</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000036 -0.000000150 0.000001335</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000203 -0.000000460 -0.000000329</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000475 -0.000000578 0.000000638</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000600 0.000000260 0.000000324</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000059 0.000000321 0.000000010</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000735 -0.000000033 0.000000294</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000238 0.000000303 -0.000000161</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000210 0.000000044 -0.000000377</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">0.000000265 0.000000520 0.000000111</array>
                        <array dataType="xsd:double" dictRef="cc:force" size="3">-0.000000323 -0.000000600 -0.000000328</array>
                     </list>
                  </list>
                  <list cmlx:templateRef="cartesianforce">
                     <scalar dataType="xsd:double" dictRef="cc:maxforce">0.010003119</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:rmsforce">0.001577171</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l401"/>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">8</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-858.526162725</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT283953.700S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Thu Mar  9 18:52:42 2023</scalar>
               </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="50">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</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="50">C C C C C C H H H C H H C C C C C H H H N B H H C C H H H C H H H C H H H C C H H H C H H H C H H H</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="50">0.095103 0.463859 0.591629 -0.136789 -0.239889 -0.385714 0.214406 0.240075 0.209462 -0.895070 0.248468 0.246071 -0.281733 -0.156945 0.236687 0.059022 -0.685367 0.245893 0.260493 0.253560 0.257676 -1.406495 -0.360438 0.830845 -0.072542 -0.318264 0.136521 0.150217 0.157284 -0.441015 0.210839 0.177754 0.174537 -0.437720 0.162378 0.165077 0.177000 0.057730 -0.532432 0.152492 0.159993 0.166807 -0.622397 0.170039 0.197755 0.169859 -0.511483 0.159850 0.144893 0.140017</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
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                     <module cmlx:templateRef="l601.orbital.closedshell">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="10">76 77 78 79 80 81 82 83 84 85</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="cc:occupation"
                               size="10">O|O|O|O|O|V|V|V|V|V</array>
                        <array dataType="xsd:double" dictRef="cc:eigenvalues" size="10">-0.35363 -0.33657 -0.32627 -0.31290 -0.29963 -0.00378 0.02147 0.03479 0.04341 0.04533</array>
                        <matrix cols="10"
                                dataType="xsd:double"
                                dictRef="g:orbitalcoeff"
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                           <scalar dataType="xsd:string" dictRef="x:label">15  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">16  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">17  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D+2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">18  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">19  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">20  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">21  N  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">22  B  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">23  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">24  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">25  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-1</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">26  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">27  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">28  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">29  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">30  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">31  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">32  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">33  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">34  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">36  H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">38  C  1S</scalar>
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                     </module>
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               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges:</scalar>
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                        <array dataType="xsd:string" dictRef="cc:elementType" size="50">C C C C C C H H H C H H C C C C C H H H N B H H C C H H H C H H H C H H H C C H H H C H H H C H H H</array>
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                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
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                  <scalar dictRef="cc:linkToAtoms">./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999']</scalar>
               </property>
               <property>
                  <module cmlx:templateRef="l601.kinetic">
                     <module>
                        <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                        <array dataType="xsd:integer" dictRef="x:serial" size="10">76 77 78 79 80 81 82 83 84 85</array>
                        <array dataType="xsd:string" dictRef="x:label" size="10">O O O O O V V V V V</array>
                        <array dataType="xsd:double" dictRef="g:orbitalener" size="10">-0.353626 -0.336570 -0.326271 -0.312901 -0.299631 -0.003777 0.021469 0.034789 0.043414 0.045333</array>
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                     <scalar dataType="xsd:string" dictRef="g:totalkineticener">8.544762142965D+02</scalar>
                  </module>
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               <property dictRef="cc:multipole">
                  <list cmlx:templateRef="multipole">
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                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="3">6.1123 4.6041 6.8299</array>
                     <array dataType="xsd:double" dictRef="cc:quadrupole" size="6">8.1639 0.1579 -8.3219 6.1123 4.6041 6.8299</array>
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                     <array dataType="xsd:double" dictRef="cc:hexadecapole" size="15">-4703.0511 -3574.0846 -1841.7944 933.6306 -104.1081 952.5799 -19.3121 -216.6309 -79.1924 -1388.5159 -1122.9112 -884.8880 22.9986 -36.1227 319.8914</array>
                  </list>
               </property>
            </propertyList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l9999.archive" dictRef="cc:userDefinedModule">
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                  <scalar dataType="xsd:double" dictRef="cc:rmsd" units="nonsi:unknown">3.852E-9</scalar>
                  <scalar dataType="xsd:double" dictRef="cc:rmsf" units="nonsi:unknown">6.31E-4</scalar>
                  <scalar dataType="xsd:string" dictRef="x:Quadrupole">6.069676,0.1174184,-6.1870944,4.5443484,3.4230528,5.0778363</scalar>
                  <scalar dataType="xsd:string" dictRef="cc:pointgroup">C01 [X(C20H28B1N1)]</scalar>
                  <array dataType="xsd:double"
                         dictRef="cc:dipole"
                         size="3"
                         units="nonsi:debye">-2.6480993 1.1309758 -0.1848679</array>
               </module>
            </module>
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                        id="a2"
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                        x3="-3.57132629"
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                        z3="-0.81700209"/>
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               <parameter dictRef="g:keyword">
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                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a34"
                        x3="3.735486"
                        y3="-2.591078"
                        z3="1.761868">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a35"
                        x3="3.95425"
                        y3="-3.229919"
                        z3="2.627956">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a36"
                        x3="4.377801"
                        y3="-2.922986"
                        z3="0.941293">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a37"
                        x3="4.033491"
                        y3="-1.574118"
                        z3="2.030986">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a38"
                        x3="2.633233"
                        y3="-1.65244"
                        z3="-1.310413">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a39"
                        x3="2.990439"
                        y3="-3.052127"
                        z3="-1.832842">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a40"
                        x3="3.413053"
                        y3="-2.986866"
                        z3="-2.844213">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a41"
                        x3="3.734927"
                        y3="-3.545082"
                        z3="-1.201664">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a42"
                        x3="2.110312"
                        y3="-3.702234"
                        z3="-1.884524">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a43"
                        x3="1.731396"
                        y3="-0.986107"
                        z3="-2.367659">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a44"
                        x3="0.81512"
                        y3="-1.562939"
                        z3="-2.535861">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a45"
                        x3="1.439339"
                        y3="0.026174"
                        z3="-2.070187">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a46"
                        x3="2.252589"
                        y3="-0.911488"
                        z3="-3.330886">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="C"
                        id="a47"
                        x3="3.935695"
                        y3="-0.832772"
                        z3="-1.247208">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a48"
                        x3="4.459314"
                        y3="-0.886656"
                        z3="-2.210688">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a49"
                        x3="3.739601"
                        y3="0.223045"
                        z3="-1.044026">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
                  <atom elementType="H"
                        id="a50"
                        x3="4.622525"
                        y3="-1.201486"
                        z3="-0.48037">
                     <property dictRef="g:atomicType">
                        <scalar dataType="xsd:integer">0</scalar>
                     </property>
                  </atom>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a22 a38" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
               </bondArray>
               <formula concise="C20H28BN"/>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">265.0316999999999</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1/C20H27BN.H/c1-19(2,3)21(20(4,5)6)16-11-7-9-14-13-15-10-8-12-22-18(15)17(14)16;/h7-12,21H,13H2,1-6H3;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:26,30,34,39,43,47,5,17,6,16,4,15,10,1,14,3,2,13,25,38,22,21;24/E:(1,2,3,4,5,6)(19,20);/CRV:7.3,8.3,9.3,10.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,21.4,22.2;/rA:50nC3C3C3C3C3C3HHHCHHC3C3C3C3C3HHHN2B4HH0CCHHHCHHHCHHHCCHHHCHHHCHHH/rB:s1;s2;s3;s4;s1s5;s4;s5;s6;s1;s10;s10;s2;s10s13;;s14;s15s16;s15;s16;s17;s13s15;s3;s22;;s22;s25;s26;s26;s26;s25;s30;s30;s30;s25;s34;s34;s34;s22;s38;s39;s39;s39;s38;s43;s43;s43;s38;s47;s47;s47;/rC:-.1268,1.7235,.98;.1543,.4154,.549;1.4197,-.1832,.6255;2.4023,.6472,1.1882;2.1455,1.9445,1.625;.8741,2.5049,1.5253;3.414,.2741,1.2923;2.9551,2.5287,2.0501;.6814,3.5168,1.8649;-1.5825,2.0734,.7547;-1.6961,2.9303,.0835;-2.0918,2.3237,1.6904;-1.1003,-.1286,.0417;-2.132,.8125,.1443;-2.4979,-1.7001,-.8772;-3.3897,.4571,-.2938;-3.5713,-.8297,-.817;-2.5995,-2.7043,-1.2722;-4.2242,1.1479,-.2383;-4.5412,-1.152,-1.1733;-1.278,-1.3473,-.4514;1.8307,-1.6843,.1346;.7715,-2.4603,-.2749;-.0331,-2.0255,-.3592;2.2451,-2.6874,1.3922;1.9441,-4.1694,1.0942;2.5171,-4.5545,.2498;2.1895,-4.7885,1.9669;.8818,-4.3245,.8744;1.416,-2.3228,2.6382;1.6547,-1.3238,3.0123;.3416,-2.3427,2.4182;1.6003,-3.0383,3.4502;3.7355,-2.5911,1.7619;3.9543,-3.2299,2.628;4.3778,-2.923,.9413;4.0335,-1.5741,2.031;2.6332,-1.6524,-1.3104;2.9904,-3.0521,-1.8328;3.4131,-2.9869,-2.8442;3.7349,-3.5451,-1.2017;2.1103,-3.7022,-1.8845;1.7314,-.9861,-2.3677;.8151,-1.5629,-2.5359;1.4393,.0262,-2.0702;2.2526,-.9115,-3.3309;3.9357,-.8328,-1.2472;4.4593,-.8867,-2.2107;3.7396,.223,-1.044;4.6225,-1.2015,-.4804;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l101" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l101.title">
                     <scalar cmlx:templateRef="title" dataType="xsd:string" dictRef="cc:title">tbu_indenoPy</scalar>
                  </module>
                  <module cmlx:templateRef="l101.redundantcoords">
                     <scalar cmlx:templateRef="redundant"
                             dataType="xsd:string"
                             dictRef="g:redundant">Redundant internal coordinates found in file.  (old form).</scalar>
                  </module>
                  <list cmlx:templateRef="rest">
                     <scalar dataType="xsd:string" dictRef="x:l101">Charge =  0 Multiplicity = 1</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.init">
                     <list cmlx:templateRef="length">
                        <array dataType="xsd:string" dictRef="g:symbol" size="53">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="53">1 1 1 2 2 3 3 4 4 5 5 6 10 10 10 13 13 14 15 15 15 16 16 17 21 22 22 22 23 25 25 25 26 26 26 30 30 30 34 34 34 38 38 38 39 39 39 43 43 43 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="53">2 6 10 3 13 4 22 5 7 6 8 9 11 12 14 14 21 16 17 18 21 17 19 20 24 23 25 38 24 26 30 34 27 28 29 31 32 33 35 36 37 39 43 47 40 41 42 44 45 46 48 49 50</array>
                        <array dataType="xsd:double" dictRef="cc:distance" size="53">1.4057 1.382 1.514 1.4019 1.4585 1.4041 1.632 1.3928 1.0833 1.393 1.0851 1.0846 1.0944 1.0944 1.5048 1.4003 1.3266 1.3784 1.3833 1.0838 1.3394 1.4009 1.0847 1.0823 1.4207 1.3755 1.6611 1.6532 0.9184 1.5414 1.5404 1.5386 1.0907 1.0978 1.0958 1.093 1.0969 1.0979 1.0982 1.0937 1.0934 1.5361 1.5411 1.5402 1.0981 1.0935 1.0954 1.0957 1.0948 1.0977 1.0979 1.0929 1.0935</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="53">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|frozen, calculate D2E/DX2 analyt|frozen, calculate D2E/DX2 analyt|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|frozen, calculate D2E/DX2 analyt|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                     <list cmlx:templateRef="angle">
                        <array dataType="xsd:string" dictRef="g:symbol" size="95">A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="95">2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 1 1 1 11 11 12 2 2 14 10 10 13 17 17 18 14 14 17 15 15 16 13 3 3 3 23 23 25 22 22 22 22 26 26 30 25 25 25 27 27 28 25 25 25 31 31 32 25 25 25 35 35 36 22 22 22 39 39 43 38 38 38 40 40 41 38 38 38 44 44 45 38 38 38 48 48 49</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="95">1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 10 10 10 10 10 10 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 21 22 22 22 22 22 22 23 25 25 25 25 25 25 26 26 26 26 26 26 30 30 30 30 30 30 34 34 34 34 34 34 38 38 38 38 38 38 39 39 39 39 39 39 43 43 43 43 43 43 47 47 47 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="95">6 10 10 3 13 13 4 22 22 5 7 7 6 8 8 5 9 9 11 12 14 12 14 14 14 21 21 13 16 16 18 21 21 17 19 19 16 20 20 15 23 25 38 25 38 38 24 26 30 34 30 34 34 27 28 29 28 29 29 31 32 33 32 33 33 35 36 37 36 37 37 39 43 47 43 47 47 40 41 42 41 42 42 44 45 46 45 46 46 48 49 50 49 50 50</array>
                        <array dataType="xsd:double" dictRef="cc:angle" size="95">120.153 111.2057 128.6413 124.1327 106.363 129.5043 113.6432 127.131 119.225 123.1925 119.2327 117.5747 121.3732 119.1286 119.4981 117.5042 121.4918 121.004 111.8425 111.9055 102.5848 107.2719 111.6788 111.6267 110.953 125.9575 123.0888 108.892 132.7032 118.4045 121.744 121.8143 116.4417 118.2833 121.4323 120.2844 119.5804 119.5788 120.8407 118.8279 114.4909 112.9885 111.5587 94.4044 97.1506 123.5228 115.776 112.675 109.5821 112.6896 106.1922 107.2069 108.1942 112.7433 110.1757 111.3571 107.3876 107.6989 107.2379 112.0623 111.1426 110.7102 107.4059 107.8051 107.5159 110.2449 111.6945 112.4189 107.3485 107.0168 107.8714 113.1162 108.8992 112.6353 107.2613 107.5914 107.032 110.4012 111.888 111.7144 107.2422 107.5207 107.8618 111.5333 111.6846 110.7024 107.7825 107.3449 107.5921 109.9486 111.7164 112.3636 107.2253 107.4159 107.9427</array>
                        <array dataType="xsd:string" delimiter="|" dictRef="g:deriv" size="95">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                     <list cmlx:templateRef="dihed">
                        <array dataType="xsd:string" dictRef="g:symbol" size="141">D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
                        <array dataType="xsd:integer" dictRef="g:atom1" size="141">6 6 10 10 2 2 10 10 2 2 2 6 6 6 1 1 13 13 1 1 3 3 2 2 22 22 2 2 2 4 4 4 3 3 7 7 4 4 8 8 1 1 11 11 12 12 2 2 21 21 2 14 10 10 13 13 18 18 21 21 17 18 14 14 19 19 3 25 38 3 3 3 23 23 23 38 38 38 3 3 3 23 23 23 25 25 25 22 22 22 30 30 30 34 34 34 22 22 22 26 26 26 34 34 34 22 22 22 26 26 26 30 30 30 22 22 22 43 43 43 47 47 47 22 22 22 39 39 39 47 47 47 22 22 22 39 39 39 43 43 43</array>
                        <array dataType="xsd:integer" dictRef="g:atom2" size="141">1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 2 2 2 2 2 3 3 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 10 10 10 10 10 10 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 16 16 16 16 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38 38</array>
                        <array dataType="xsd:integer" dictRef="g:atom3" size="141">2 2 2 2 6 6 6 6 10 10 10 10 10 10 3 3 3 3 13 13 13 13 4 4 4 4 22 22 22 22 22 22 5 5 5 5 6 6 6 6 14 14 14 14 14 14 14 14 14 14 21 21 16 16 16 16 17 17 17 17 21 21 17 17 17 17 23 23 23 25 25 25 25 25 25 25 25 25 38 38 38 38 38 38 38 38 38 26 26 26 26 26 26 26 26 26 30 30 30 30 30 30 30 30 30 34 34 34 34 34 34 34 34 34 39 39 39 39 39 39 39 39 39 43 43 43 43 43 43 43 43 43 47 47 47 47 47 47 47 47 47</array>
                        <array dataType="xsd:integer" dictRef="g:atom4" size="141">3 13 3 13 5 9 5 9 11 12 14 11 12 14 4 22 4 22 14 21 14 21 5 7 5 7 23 25 38 23 25 38 6 8 6 8 1 9 1 9 13 16 13 16 13 16 10 16 10 16 15 15 17 19 17 19 16 20 16 20 13 13 15 20 15 20 24 24 24 26 30 34 26 30 34 26 30 34 39 43 47 39 43 47 39 43 47 27 28 29 27 28 29 27 28 29 31 32 33 31 32 33 31 32 33 35 36 37 35 36 37 35 36 37 40 41 42 40 41 42 40 41 42 44 45 46 44 45 46 44 45 46 48 49 50 48 49 50 48 49 50</array>
                        <array dataType="xsd:double" dictRef="cc:dihed" size="141">-0.2785 179.6361 179.6983 -0.3871 -0.0375 -179.9949 179.9902 0.0328 -119.5525 120.0537 0.2661 60.4218 -59.9719 -179.7596 0.3854 -179.2958 -179.5083 0.8104 0.3668 -179.3402 -179.7249 0.5681 -0.2044 179.8929 179.5044 -0.3983 -6.5965 -113.1507 102.4935 173.7381 67.1839 -77.1719 -0.0842 179.9979 179.82 -0.0979 0.2096 -179.8327 -179.8728 0.0848 -0.0329 179.76 119.8995 -60.3077 -120.0143 59.7786 -0.2015 179.9716 179.5155 -0.3115 179.8923 0.2188 -179.6511 0.2876 0.1261 -179.9352 179.8011 -0.1029 -0.2294 179.8665 0.0563 -179.9727 0.1282 -179.969 -179.8113 0.0916 9.2739 127.0176 -108.3779 150.9863 32.9912 -87.5354 32.0183 -85.9768 153.4966 -69.5643 172.4406 51.914 -177.8067 -58.6524 59.915 -57.8867 61.2676 179.835 42.2472 161.4014 -80.0311 62.6598 -177.3902 -58.5299 -177.3695 -57.4195 61.4407 -61.8832 58.0668 176.9271 -65.3513 54.8344 174.2534 172.6859 -67.1284 52.2906 57.8707 178.0565 -62.5246 177.1165 -63.6235 57.8033 -58.3495 60.9106 -177.6626 55.7972 175.0572 -63.516 173.3256 -67.3183 53.7322 53.2309 172.5871 -66.3625 -61.6215 57.7346 178.785 -62.91 57.7688 177.6353 59.8363 -179.4849 -59.6184 175.062 -64.2592 55.6073 176.8896 -64.1858 57.3098 51.5491 170.4737 -68.0308 -63.4556 55.469 176.9646</array>
                        <array dataType="xsd:string"
                               delimiter="|"
                               dictRef="g:deriv"
                               size="141">calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically</array>
                     </list>
                  </module>
               </module>
               <module cmlx:templateRef="l103" dictRef="cc:userDefinedModule">
                  <list cmlx:templateRef="berny">
                     <scalar dataType="xsd:string" dictRef="g:optimization">Berny optimization.</scalar>
                  </list>
                  <module cmlx:templateRef="l103.localminsaddle">
                     <scalar cmlx:templateRef="r" dataType="xsd:string" dictRef="cc:minmaxts">local minimum</scalar>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="9">Step number 1 out of a maximum of 2</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="7">All quantities printed in internal units (Hartrees-Bohrs-Radians)</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="9">Second derivative matrix not updated -- analytic derivatives used.</array>
                     <array cmlx:templateRef="eigenvaluelist"
                            dataType="xsd:double"
                            dictRef=""
                            size="289">0.00129 0.00175 0.00297 0.00351 0.00404 0.00420 0.00499 0.00515 0.00624 0.00912 0.01017 0.01164 0.01350 0.01581 0.01725 0.01764 0.02011 0.02114 0.02216 0.02385 0.02541 0.02639 0.02717 0.02809 0.02875 0.02963 0.03288 0.03591 0.03683 0.04237 0.04408 0.04466 0.04503 0.04522 0.04558 0.04592 0.04600 0.04629 0.04674 0.04698 0.04714 0.04734 0.04742 0.04786 0.05047 0.05110 0.05485 0.05915 0.06435 0.07052 0.08334 0.10265 0.10950 0.11094 0.11291 0.11642 0.11672 0.11679 0.11767 0.12011 0.12122 0.12155 0.12336 0.12594 0.12724 0.12880 0.13249 0.13698 0.13781 0.14087 0.14213 0.14332 0.14474 0.14867 0.15056 0.15411 0.15632 0.16159 0.16917 0.17018 0.17407 0.17908 0.18773 0.19329 0.19530 0.20191 0.21187 0.21447 0.21834 0.22981 0.23592 0.24182 0.26141 0.26740 0.27180 0.27372 0.27650 0.27705 0.27913 0.29036 0.30018 0.30877 0.31161 0.31566 0.32632 0.32640 0.32706 0.32727 0.32880 0.32982 0.33244 0.33305 0.33406 0.33494 0.33542 0.33858 0.33988 0.34019 0.34098 0.34214 0.34328 0.34560 0.34697 0.35091 0.35889 0.36059 0.36143 0.36228 0.36299 0.36618 0.37123 0.37719 0.40751 0.43409 0.45687 0.46944 0.47269 0.48969 0.50866 0.53836 0.63209 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000 1000.00000</array>
                     <array cmlx:templateRef="junk"
                            dataType="xsd:string"
                            dictRef="x:junk1"
                            size="8">Angle between quadratic step and forces= 77.20 degrees.</array>
                     <list cmlx:templateRef="iterationList">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="3">1 2 1</array>
                        <array dataType="xsd:double" dictRef="g:rmscart" size="3">0.00048266 0.00000026 0.00000002</array>
                        <array dataType="xsd:double" dictRef="g:rmsint" size="3">0.00000011 0.00000002 0.00000000</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="l103.deltas">
                     <list cmlx:templateRef="delta">
                        <array dataType="xsd:string" dictRef="cc:variable" size="289">R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 R50 R51 R52 R53 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 A74 A75 A76 A77 A78 A79 A80 A81 A82 A83 A84 A85 A86 A87 A88 A89 A90 A91 A92 A93 A94 A95 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 D116 D117 D118 D119 D120 D121 D122 D123 D124 D125 D126 D127 D128 D129 D130 D131 D132 D133 D134 D135 D136 D137 D138 D139 D140 D141</array>
                        <array dataType="xsd:double" dictRef="g:lastval" size="289">2.65632 2.61152 2.86097 2.64927 2.75623 2.65340 3.08394 2.63193 2.04713 2.63236 2.05062 2.04965 2.06815 2.06808 2.84359 2.64617 2.50688 2.60480 2.61401 2.04815 2.53109 2.64730 2.04975 2.04527 2.68472 2.59924 3.13912 3.12413 1.73555 2.91277 2.91090 2.90744 2.06111 2.07457 2.07076 2.06556 2.07275 2.07474 2.07533 2.06670 2.06615 2.90284 2.91231 2.91058 2.07503 2.06634 2.07004 2.07060 2.06880 2.07441 2.07472 2.06533 2.06640 2.09706 1.94091 2.24521 2.16652 1.85638 2.26028 1.98345 2.21886 2.08087 2.15011 2.08100 2.05207 2.11836 2.07919 2.08563 2.05084 2.12043 2.11192 1.95202 1.95312 1.79044 1.87225 1.94916 1.94825 1.93650 2.19837 2.14831 1.90052 2.31611 2.06655 2.12483 2.12606 2.03229 2.06443 2.11939 2.09936 2.08707 2.08704 2.10907 2.07394 1.99824 1.97202 1.94707 1.64767 1.69560 2.15588 2.02067 1.96655 1.91257 1.96681 1.85340 1.87111 1.88835 1.96774 1.92293 1.94355 1.87427 1.87970 1.87165 1.95586 1.93980 1.93226 1.87459 1.88155 1.87651 1.92414 1.94944 1.96208 1.87358 1.86780 1.88271 1.97425 1.90065 1.96586 1.87206 1.87782 1.86806 1.92686 1.95281 1.94978 1.87173 1.87659 1.88254 1.94662 1.94926 1.93212 1.88116 1.87352 1.87784 1.91897 1.94982 1.96112 1.87144 1.87476 1.88395 -0.00486 3.13524 3.13633 -0.00676 -0.00065 -3.14150 3.14142 0.00057 -2.08658 2.09533 0.00464 1.05456 -1.04671 -3.13740 0.00673 -3.12930 -3.13301 0.01414 0.00640 -3.13008 -3.13679 0.00992 -0.00357 3.13972 3.13294 -0.00695 -0.11513 -1.97485 1.78885 3.03230 1.17258 -1.34690 -0.00147 3.14156 3.13845 -0.00171 0.00366 -3.13867 -3.13937 0.00148 -0.00057 3.13740 2.09264 -1.05257 -2.09464 1.04333 -0.00352 3.14110 3.13314 -0.00544 3.13971 0.00382 -3.13550 0.00502 0.00220 -3.14046 3.13812 -0.00180 -0.00400 3.13926 0.00098 -3.14112 0.00224 -3.14105 -3.13830 0.00160 0.16186 2.21688 -1.89155 2.63521 0.57580 -1.52778 0.55883 -1.50058 2.67902 -1.21413 3.00966 0.90607 -3.10331 -1.02368 1.04571 -1.01031 1.06932 3.13871 0.73735 2.81699 -1.39681 1.09362 -3.09604 -1.02154 -3.09568 -1.00216 1.07234 -1.08007 1.01346 3.08796 -1.14060 0.95704 3.04130 3.01394 -1.17161 0.91264 1.01003 3.10767 -1.09126 3.09127 -1.11044 1.00886 -1.01839 1.06309 -3.10080 0.97384 3.05533 -1.10856 3.02510 -1.17493 0.93780 0.92906 3.01221 -1.15824 -1.07550 1.00766 3.12039 -1.09799 1.00826 3.10032 1.04434 -3.13260 -1.04054 3.05541 -1.12154 0.97053 3.08731 -1.12025 1.00024 0.89970 2.97533 -1.18736 -1.10751 0.96812 3.08861</array>
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                     </list>
                  </module>
                  <module cmlx:templateRef="l103.itemconverge">
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:string" delimiter="|" dictRef="g:item" size="4">|Maximum Force|RMS     Force|Maximum Displacement|RMS     Displacement|</array>
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                        <array dataType="xsd:double" dictRef="g:threshold" size="4">0.000450 0.000300 0.001800 0.001200</array>
                        <array dataType="xsd:string" dictRef="g:converged" size="4">YES YES NO YES</array>
                     </list>
                  </module>
                  <module cmlx:templateRef="preddelta">
                     <list cmlx:templateRef="predicted">
                        <scalar dataType="xsd:double" dictRef="g:predchange">-4.385633e-08</scalar>
                     </list>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="l202" dictRef="cc:userDefinedModule">
                  <module cmlx:templateRef="l202.distmat">
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3.129335 4.495665 5.183378 4.835099 5.261574 6.261000 5.732692 3.639791 4.331134 4.327332 1.326583 2.397689 1.339395 2.782060 2.379253 2.064341 3.866636 3.347738 0.000000 4.019906 2.718605 1.631952 2.621524 3.935501 4.516451 2.771638 4.762626 5.600547 5.114134 5.808257 5.819856 3.319571 4.683770 4.445383 5.658813 5.551419 4.758858 6.694929 6.526488 3.181409 0.000000 4.459334 3.054387 2.533022 3.802165 4.989918 5.282438 4.112840 5.921468 6.349195 5.211052 5.939373 5.911626 3.006716 4.395158 3.410252 5.082036 4.670425 3.523907 6.162519 5.544643 2.338897 1.375456 0.000000 3.982074 2.611087 2.544470 3.933000 4.944037 4.989832 4.460649 5.956037 6.014461 4.521258 5.246095 5.230168 2.213062 3.565580 2.539644 4.175466 3.762824 2.807326 5.258324 4.663548 1.420692 1.958062 0.918413 0.000000 5.025104 3.835323 2.745935 3.344470 4.638761 5.371860 3.185330 5.305124 6.415625 6.141769 6.986007 6.633888 4.422960 5.741596 5.349899 6.669441 6.493275 5.528996 7.695407 7.415709 4.196093 1.661149 2.236566 2.948833 0.000000 6.247216 4.951857 4.047796 4.839224 6.140172 6.773232 4.684459 6.841087 7.827244 7.177999 8.042278 7.668375 5.167538 6.506641 5.451166 7.195837 6.725030 5.328281 8.252028 7.503635 4.553576 2.666342 2.483997 3.258498 1.541374 0.000000 6.851066 5.511135 4.522645 5.286919 6.653303 7.359470 5.020613 7.321567 8.433547 7.809628 8.590798 8.404005 5.719899 7.101463 5.879492 7.765451 7.216753 5.649753 8.843082 7.963761 5.018074 2.953429 2.776379 3.642852 2.205752 1.090694 0.000000 6.981804 5.764837 4.858119 5.495323 6.741829 7.424223 5.252090 7.357655 8.441741 7.923536 8.844512 8.305986 6.020242 7.305408 6.292777 7.984635 7.523922 6.145748 9.013237 8.269624 5.451042 3.622476 3.529424 4.240862 2.179052 1.097814 1.763645 0.000000 6.132391 4.806403 4.183502 5.208415 6.438937 6.860304 5.266216 7.255813 7.906109 6.857045 7.739696 7.328463 4.714540 6.000402 4.623630 6.517186 5.908022 4.399135 7.566727 6.608040 3.909751 2.901422 2.192715 2.764790 2.192450 1.095799 1.765530 1.766056 0.000000 4.637015 3.667981 2.937464 3.449015 4.446112 4.983789 3.542150 5.123594 5.936139 5.644828 6.618622 5.898503 4.229345 5.351440 5.297589 6.278434 6.248278 5.617908 7.220184 7.168391 4.213639 2.616756 2.986639 3.342513 1.540384 2.464309 3.449265 2.669999 2.720883 0.000000 4.073099 3.368070 2.655747 2.787666 3.584312 4.180843 2.933731 4.178377 5.069058 5.207381 6.156562 5.393323 4.224044 5.208514 5.702094 6.288695 6.497601 6.193585 7.157995 7.479114 4.538541 2.905470 3.588415 3.835046 2.198268 3.443825 4.337303 3.658256 3.764532 1.093045 0.000000 4.338368 3.337059 3.006572 3.833862 4.718334 4.957770 4.189797 5.540394 5.895312 5.096133 6.116150 5.312828 3.553666 4.609201 4.397218 5.395943 5.297805 4.732850 6.331458 6.177221 3.442169 2.804562 2.729654 2.820431 2.189679 2.767256 3.785065 3.098447 2.569562 1.096852 1.764969 0.000000 5.635560 4.736683 4.020374 4.398014 5.334464 5.912639 4.349447 5.898043 6.806353 6.597344 7.604296 6.743847 5.232329 6.299875 6.108458 7.150927 7.059274 6.328635 8.065619 7.915378 5.134896 3.588827 3.859704 4.266797 2.185026 2.636009 3.658151 2.368696 2.967431 1.097907 1.770327 1.770132 0.000000 5.843309 4.830617 3.528756 3.548612 4.808127 5.849128 2.921104 5.186929 6.829652 7.145071 7.924955 7.623469 5.692732 6.973438 6.827451 8.017825 7.946236 7.025006 9.018685 8.898826 5.619684 2.664259 3.598701 4.361284 1.538553 2.479124 2.761520 2.694640 3.454821 2.493976 2.738445 3.465656 2.758523 0.000000 6.626249 5.661278 4.440309 4.417373 5.572424 6.602352 3.788631 5.873149 7.537363 7.892346 8.737804 8.262942 6.469534 7.717044 7.500481 8.721490 8.617615 7.644569 9.709131 9.536217 6.356370 3.621467 4.375914 5.125668 2.177750 2.697387 3.078246 2.445565 3.703112 2.695508 3.011441 3.725897 2.500759 1.098219 0.000000 6.471700 5.397838 4.044325 4.087720 5.398414 6.486816 3.357555 5.742343 7.482465 7.779662 8.478762 8.363284 6.215066 7.547663 7.216518 8.560647 8.406084 7.323283 9.589437 9.335729 6.034134 2.944935 3.833879 4.685353 2.192536 2.738605 2.569516 3.053036 3.767043 3.465823 3.776440 4.336900 3.744650 1.093651 1.765909 0.000000 5.411747 4.604624 3.277481 2.881857 4.013713 5.184176 2.084513 4.242218 6.097661 6.817039 7.543931 7.268285 5.692296 6.875272 7.150730 8.039547 8.154661 7.495673 8.985993 9.163529 5.867354 2.908686 4.091807 4.738517 2.201290 3.461031 3.788798 3.706355 4.339966 2.789334 2.585386 3.790843 3.174632 1.093362 1.761911 1.767887 0.000000 4.925532 3.725378 2.716463 3.403610 4.668228 5.330979 3.330917 5.373903 6.372874 5.993202 6.456630 6.865906 4.253166 5.558780 5.149641 6.462171 6.278294 5.337566 7.484319 7.193129 4.016083 1.653221 2.278404 2.855358 2.919912 3.548532 3.296977 4.557725 3.870460 4.185963 4.444219 4.430608 5.064700 3.396309 4.443454 3.118972 3.623784 0.000000 6.358930 5.073516 4.091649 4.812206 6.134872 6.829099 4.583590 6.798854 7.883907 7.340132 7.837474 8.194030 5.366081 6.714490 5.732668 7.442433 7.002004 5.628776 8.498996 7.795544 4.799443 2.662109 2.775135 3.516705 3.330093 3.303128 2.611293 4.253796 3.659802 4.795914 5.314722 5.058728 5.462918 3.699946 4.567195 3.104397 4.266338 1.536116 0.000000 7.024449 5.805921 4.886009 5.521602 6.774860 7.463145 5.267278 7.388225 8.481491 7.969528 8.347962 8.892049 6.071932 7.356263 6.361185 8.040110 7.585821 6.221119 9.067179 8.332359 5.515432 3.615786 3.722473 4.356064 4.404664 4.366607 3.582386 5.281106 4.692996 5.872461 6.336864 6.127107 6.550470 4.634285 5.504236 3.907030 5.113548 2.177465 1.098059 0.000000 6.886994 5.618816 4.472273 5.006217 6.375860 7.226542 4.572589 6.933482 8.282402 7.979285 8.548615 8.761137 6.049578 7.431124 6.508288 8.222060 7.804025 6.390407 9.289722 8.615181 5.524753 2.978955 3.289036 4.149304 3.111817 2.977894 2.146860 3.738249 3.613536 4.649282 5.197931 5.105248 5.143296 3.113301 3.848821 2.322188 3.797877 2.192635 1.093459 1.764420 0.000000 6.530607 5.167488 4.377334 5.333308 6.648558 7.189134 5.253816 7.417531 8.259213 7.345724 7.896388 8.170066 5.175805 6.518948 5.124372 7.076784 6.455408 4.853197 8.146102 7.159030 4.368121 2.868317 2.434324 3.119651 3.432943 3.019697 2.333956 4.002477 3.083483 4.779099 5.462865 4.846639 5.400051 4.143915 4.897516 3.705938 4.853732 2.191964 1.095416 1.769150 1.769285 0.000000 4.690607 3.599762 3.114629 3.970118 4.970021 5.298807 4.220704 5.776525 6.268455 5.485547 5.752794 6.483808 3.815602 4.946830 4.540753 5.710489 5.527013 4.786341 6.675073 6.387398 3.585954 2.599755 2.733953 2.868356 4.158703 4.707748 4.494695 5.784179 4.730448 5.190802 5.391063 5.164878 6.170613 4.862644 5.910326 4.658769 4.999348 1.541129 2.477833 2.656711 3.452830 2.784662 0.000000 4.904001 3.723821 3.501943 4.612201 5.602195 5.748387 4.978294 6.507872 6.722246 5.458840 5.775548 6.435663 3.517095 4.638084 3.707596 5.175732 4.767922 3.815671 6.166156 5.542122 2.961878 2.859665 2.432964 2.381426 4.328851 4.609268 4.427914 5.706853 4.388633 5.263932 5.616386 5.037328 6.215024 5.296799 6.268810 5.160720 5.586961 2.194372 2.728357 2.978575 3.772830 2.584250 1.095713 0.000000 3.825892 2.943278 2.703882 3.453988 4.222905 4.403551 3.907293 5.053438 5.314522 4.615445 4.785781 5.647107 3.306637 4.275164 4.461535 5.163444 5.235426 4.940098 6.057162 6.161062 3.448312 2.817806 3.138753 3.050351 4.472222 5.279278 5.246615 6.327892 5.282922 5.261809 5.263105 5.192477 6.315998 5.177542 6.244956 5.138202 5.109812 2.195538 3.455167 3.684166 4.333350 3.792849 1.094760 1.769684 0.000000 5.584670 4.606177 4.108183 4.782669 5.720909 6.095464 4.912034 6.425249 7.005353 6.348943 6.481520 7.386055 4.819663 5.854408 5.404618 6.552310 6.343840 5.567349 7.466806 7.132174 4.576739 3.575599 3.732535 3.911016 5.045933 5.503668 5.115010 6.565217 5.586732 6.190410 6.384600 6.225095 7.136684 5.563824 6.616538 5.178239 5.688616 2.185454 2.714939 2.427081 3.696854 3.146501 1.097732 1.767136 1.769166 0.000000 5.291412 4.368426 3.202990 3.236144 4.378074 5.310394 2.818909 4.809735 6.260567 6.550072 6.902831 7.411048 5.245786 6.438996 6.502362 7.498966 7.519339 6.797962 8.457198 8.483178 5.299135 2.658076 3.688704 4.238170 3.641996 4.536709 4.255020 5.387760 5.100904 4.864676 4.856670 5.350907 5.690706 3.490882 4.556704 3.058429 3.362397 1.540214 2.482340 2.731978 2.720112 3.460059 2.477470 3.454238 2.765299 2.679693 0.000000 6.166529 5.276764 4.216395 4.258664 5.299209 6.189842 3.835458 5.664094 7.090406 7.352445 7.597510 8.272975 6.046249 7.202714 7.130437 8.190700 8.150877 7.349271 9.134133 9.063937 6.018658 3.611938 4.452403 4.990622 4.596318 5.293863 4.824919 6.150547 5.842486 5.902165 5.944433 6.364099 6.696961 4.382941 5.399856 3.753434 4.318070 2.175199 2.643789 2.430411 2.934296 3.681260 2.734240 3.720651 3.158045 2.474893 1.097895 0.000000 4.614900 3.927977 2.886893 2.636474 3.553622 4.474314 2.359440 3.937682 5.353834 5.914692 6.176390 6.774594 4.972632 6.019613 6.529403 7.172507 7.389817 6.986114 8.057677 8.395133 5.290899 2.944634 4.074513 4.444968 4.079126 5.204747 5.098431 6.048522 5.703250 5.043688 4.815934 5.487806 5.950720 3.973958 5.045046 3.774428 3.573775 2.193732 3.451120 3.694705 3.771426 4.332302 2.692015 3.737366 2.526455 2.954335 1.092926 1.763668 0.000000 5.765807 4.861982 3.538058 3.336302 4.523869 5.640098 2.603854 4.806045 6.579908 7.124046 7.570672 7.888050 5.845868 7.076055 7.148916 8.184238 8.209189 7.419124 9.156534 9.189975 5.902416 2.899204 4.056767 4.729492 3.371426 4.296722 4.026055 4.977543 5.057795 4.611327 4.584922 5.294338 5.287447 2.783062 3.771316 2.246014 2.606286 2.202184 2.813851 3.199713 2.607784 3.812690 3.459318 4.341892 3.763953 3.718351 1.093492 1.766283 1.768206 0.000000</array>
                  </module>
                  <module cmlx:templateRef="l202.rotconst">
                     <array cmlx:templateRef="rotconst"
                            dataType="xsd:double"
                            dictRef="cc:rotconst"
                            size="3">0.4000443 0.2331221 0.1978029</array>
                  </module>
               </module>
               <module cmlx:templateRef="l50X">
                  <scalar dataType="xsd:integer" dictRef="cc:ncycle">1</scalar>
                  <scalar dataType="xsd:double" dictRef="g:rbhflyp" units="nonsi:hartree">-858.526162725</scalar>
               </module>
               <module cmlx:templateRef="l1102">
                  <list cmlx:templateRef="l1102">
                     <scalar dataType="xsd:string" dictRef="g:l1102">Symmetrizing basis deriv contribution to polar:</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1102">IMax=3 JMax=2 DiffMx= 0.00D+00</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l1002.minotr">
                  <list cmlx:templateRef="l1002">
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">IDoAtm=11111111111111111111111111111111111111111111111111</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">NEqPCM:  Using equilibrium solvation (IEInf=0, Eps=   2.3741, EpsInf=   2.2383)</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to electric field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">with respect to dipole field.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Differentiating once with respect to nuclear coordinates.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">CalDSu exits because no D1Ps are significant.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">There are   153 degrees of freedom in the 1st order CPHF.  IDoFFX=6 NUNeed=     3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">150 vectors produced by pass  0 Test12= 4.74D-14 1.00D-09 XBig12= 1.59D+02 4.92D+00.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">AX will form    49 AO Fock derivatives at one time.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">150 vectors produced by pass  1 Test12= 4.74D-14 1.00D-09 XBig12= 1.34D+01 4.78D-01.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">150 vectors produced by pass  2 Test12= 4.74D-14 1.00D-09 XBig12= 3.35D-01 8.96D-02.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">150 vectors produced by pass  3 Test12= 4.74D-14 1.00D-09 XBig12= 3.33D-03 7.95D-03.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">150 vectors produced by pass  4 Test12= 4.74D-14 1.00D-09 XBig12= 2.89D-05 5.22D-04.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">150 vectors produced by pass  5 Test12= 4.74D-14 1.00D-09 XBig12= 1.92D-07 3.38D-05.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">147 vectors produced by pass  6 Test12= 4.74D-14 1.00D-09 XBig12= 1.12D-09 2.06D-06.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">50 vectors produced by pass  7 Test12= 4.74D-14 1.00D-09 XBig12= 6.08D-12 1.61D-07.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">3 vectors produced by pass  8 Test12= 4.74D-14 1.00D-09 XBig12= 3.89D-14 1.28D-08.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">1 vectors produced by pass  9 Test12= 4.74D-14 1.00D-09 XBig12= 2.19D-16 1.03D-09.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">InvSVY:  IOpt=1 It=  1 EMax= 6.20D-15</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Solved reduced A of dimension  1101 with   153 vectors.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">Isotropic polarizability for W=    0.000000      302.44 Bohr**3.</scalar>
                     <scalar dataType="xsd:string" dictRef="g:l1002.minotr">End of Minotr F.D. properties file   721 does not exist.</scalar>
                  </list>
               </module>
               <module cmlx:templateRef="l601.kinetic">
                  <module>
                     <scalar dataType="xsd:string" dictRef="g:spintype">alpha</scalar>
                     <array dataType="xsd:integer" dictRef="x:serial" size="10">76 77 78 79 80 81 82 83 84 85</array>
                     <array dataType="xsd:string" dictRef="x:label" size="10">O O O O O V V V V V</array>
                     <array dataType="xsd:double" dictRef="g:orbitalener" size="10">-0.353627 -0.336570 -0.326271 -0.312901 -0.299631 -0.003777 0.021469 0.034789 0.043414 0.045333</array>
                     <array dataType="xsd:double" dictRef="g:kineticener" size="10">1.547212 1.233094 1.468024 1.220091 1.268408 1.419790 1.271487 0.127749 0.120061 0.139604</array>
                  </module>
                  <scalar dataType="xsd:string" dictRef="g:totalkineticener">8.544762143589D+02</scalar>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:jobtime">
                  <scalar dataType="xsd:string">PT196424.800S</scalar>
               </property>
               <property dictRef="cc:jobdatetime.end">
                  <scalar dataType="xsd:string">Thu Mar  9 19:20:00 2023</scalar>
               </property>
               <property dictRef="cc:popanal">
                  <module cmlx:templateRef="l601.popanal">
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                           <scalar dataType="xsd:string" dictRef="x:label">7   H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">8   H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">9   H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">10  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">11  H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">12  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">13  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">14  C  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">16  C  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">17  C  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">22  B  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">26  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">27  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">28  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">29  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">30  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+1</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D+2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">31  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">32  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">33  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">34  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4PZ</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-1</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D+2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">35  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">36  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">3S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">4S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">37  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">38  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-1</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">39  C  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">2PY</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">40  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">41  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">42  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">43  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">44  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">45  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">46  H  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">47  C  1S</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">2S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">5PX</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PY</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">5PZ</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">6D 0</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">6D-2</scalar>
                           <scalar dataType="xsd:string" dictRef="x:label">48  H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">49  H  1S</scalar>
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                           <scalar dataType="xsd:string" dictRef="x:label">50  H  1S</scalar>
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                     </module>
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                     <module cmlx:templateRef="l601.grossorbpop">
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                                dataType="xsd:double"
                                dictRef="g:totaloccup"
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                     </module>
                     <module cmlx:templateRef="mulliken">
                        <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="50">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</array>
                              <array dataType="xsd:string" dictRef="cc:elementType" size="50">C C C C C C H H H C H H C C C C C H H H N B H H C C H H H C H H H C H H H C C H H H C H H H C H H H</array>
                              <array dataType="xsd:double" dictRef="x:charge" size="50">0.075075 0.399551 0.643767 -0.065022 -0.282845 -0.402165 0.222252 0.238014 0.210143 -0.773065 0.247402 0.245359 -0.435379 -0.196120 0.226805 0.196936 -0.698686 0.256029 0.264062 0.251534 0.251819 -1.376101 -0.262486 0.750508 -0.063077 -0.394827 0.127909 0.155152 0.164499 -0.567069 0.184486 0.200180 0.167394 -0.422836 0.168498 0.186530 0.135100 -0.139349 -0.498270 0.153505 0.166381 0.169611 -0.445034 0.172596 0.205897 0.170260 -0.485586 0.168692 0.177187 0.154784</array>
                           </list>
                           <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                        </module>
                     </module>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.mullik">
                     <scalar dataType="xsd:string" dictRef="g:title">Mulliken charges with hydrogens summed into heavy atoms:</scalar>
                     <scalar dataType="xsd:integer" dictRef="cc:serial">1</scalar>
                     <list cmlx:templateRef="row">
                        <array dataType="xsd:integer" dictRef="cc:serial" size="22">1 2 3 4 5 6 10 13 14 15 16 17 21 22 25 26 30 34 38 39 43 47</array>
                        <array dataType="xsd:string" dictRef="cc:elementType" size="22">C C C C C C C C C C C C N B C C C C C C C C</array>
                        <array dataType="xsd:double" dictRef="x:charge" size="22">0.075075 0.399551 0.643767 0.157231 -0.044831 -0.192022 -0.280304 -0.435379 -0.196120 0.482834 0.460998 -0.447152 1.002328 -1.638587 -0.063077 0.052733 -0.015008 0.067291 -0.139349 -0.008773 0.103719 0.015076</array>
                     </list>
                     <scalar dataType="xsd:double" dictRef="x:chargesum">-0.00000</scalar>
                  </module>
               </property>
               <property>
                  <module cmlx:templateRef="l601.polariz">
                     <array dataType="xsd:double" dictRef="g:l601.pol.exact" size="6">359.634 -10.589 309.533 31.234 33.210 238.157</array>
                     <array dataType="xsd:double" dictRef="g:l601.pol.approx" size="6">330.083 -0.836 299.882 27.634 31.422 234.393</array>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="l716.forcematrix">
                     <module cmlx:templateRef="lowfreq">
                        <array cmlx:templateRef="lowfreq"
                               dataType="xsd:double"
                               dictRef="g:1716.lowfreq"
                               size="9">-915.2721 -4.3842 0.0003 0.0004 0.0008 7.9489 9.5373 30.6680 53.6560</array>
                     </module>
                     <module cmlx:templateRef="l716.freq.chunkx"
                             dictRef="cc:vibrations"
                             id="default">
                        <array dataType="xsd:integer" dictRef="x:serial" size="144">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144</array>
                        <array dataType="xsd:string"
                               delimiter="|"
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